4-N,4-N-dimethyl-2-(2-morpholin-4-ylethoxy)pyrimidine-4,6-diamine;(3-methylphenyl)methanimine;molecular hydrogen

C20H32N6O2 — CID 143846877

IUPAC4-N,4-N-dimethyl-2-(2-morpholin-4-ylethoxy)pyrimidine-4,6-diamine;(3-methylphenyl)methanimine;molecular hydrogen
SMILESCN(C)c1cc(N)nc(OCCN2CCOCC2)n1.[H]/N=C/c1cccc(C)c1.[H][H]
InChIInChI=1S/C12H21N5O2.C8H9N.H2/c1-16(2)11-9-10(13)14-12(15-11)19-8-5-17-3-6-18-7-4-17;1-7-3-2-4-8(5-7)6-9;/h9H,3-8H2,1-2H3,(H2,13,14,15);2-6,9H,1H3;1H/b;9-6+;
InChIKeyPBODBQORXCSKQR-YJXWIHHLSA-N
MW388.52 g/mol
LogP2.07
Rot. Bonds6

About 4-N,4-N-dimethyl-2-(2-morpholin-4-ylethoxy)pyrimidine-4,6-diamine;(3-methylphenyl)methanimine;molecular hydrogen

4-N,4-N-dimethyl-2-(2-morpholin-4-ylethoxy)pyrimidine-4,6-diamine;(3-methylphenyl)methanimine;molecular hydrogen (PubChem CID 143846877) has the molecular formula C20H32N6O2 and a molecular weight of 388.52 g/mol. Its IUPAC name is 4-N,4-N-dimethyl-2-(2-morpholin-4-ylethoxy)pyrimidine-4,6-diamine;(3-methylphenyl)methanimine;molecular hydrogen.

Molecular Properties

Compound Name4-N,4-N-dimethyl-2-(2-morpholin-4-ylethoxy)pyrimidine-4,6-diamine;(3-methylphenyl)methanimine;molecular hydrogen
PubChem CID143846877
Molecular FormulaC20H32N6O2
Molecular Weight388.52 g/mol
Exact Mass388.26
IUPAC Name4-N,4-N-dimethyl-2-(2-morpholin-4-ylethoxy)pyrimidine-4,6-diamine;(3-methylphenyl)methanimine;molecular hydrogen
SMILESCN(C)c1cc(N)nc(OCCN2CCOCC2)n1.[H]/N=C/c1cccc(C)c1.[H][H]
InChIInChI=1S/C12H21N5O2.C8H9N.H2/c1-16(2)11-9-10(13)14-12(15-11)19-8-5-17-3-6-18-7-4-17;1-7-3-2-4-8(5-7)6-9;/h9H,3-8H2,1-2H3,(H2,13,14,15);2-6,9H,1H3;1H/b;9-6+;
InChIKeyPBODBQORXCSKQR-YJXWIHHLSA-N
XLogP2.07
TPSA100.59 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-[2-(3,4-dihydropyridin-6-yl)ethoxy]-6-morpholin-4-ylpyrimidin-4-amine;(3-methylphenyl)methanimine
CID 145170671
4-N,4-N-dipropyl-6-(2-pyrrolidin-1-ylethoxy)pyridine-2,4-diamine;ethane;(3-methylphenyl)methanimine
CID 143340651
ethane;3-methanimidoyl-N-methylaniline;6-(2-morpholin-4-ylethoxy)-4-N,4-N-dipropylpyridine-2,4-diamine
CID 143341036
6-N,6-N-diethyl-4-(2-morpholin-4-ylethoxy)pyridine-2,6-diamine
CID 143229880
6-N-(2-methoxyethyl)-6-N-methyl-2-N-[(3-methylphenyl)methylideneamino]-4-(2-morpholin-4-ylethoxy)pyridine-2,6-diamine
CID 66682197
ethane;2-methanimidoyl-4-methylaniline;6-(2-morpholin-4-ylethoxy)-4-N,4-N-dipropylpyridine-2,4-diamine
CID 143341673
ethane;4-[2-(3-methylphenoxy)ethyl]morpholine
CID 143019407
N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-4-(2-morpholin-4-ylethoxy)pyridin-2-amine
CID 59673900
N,N-diethyl-4-[(3-methylphenyl)methyldiazenyl]-6-(2-morpholin-4-ylethoxy)-1,3,5-triazin-2-amine
CID 91298050
N-[(3-methylphenyl)methylideneamino]-2-(2-morpholin-4-ylethoxy)-6-(1,3-thiazolidin-3-yl)pyrimidin-4-amine
CID 66683532
6-(dipropylamino)-N'-(3-methylphenyl)-2-(2-morpholin-4-ylethoxy)pyrimidine-4-carbohydrazide
CID 71193788
(3-methylphenyl)methanimine;7-morpholin-4-yl-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-amine
CID 142437689

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-dimethyl-2-(2-morpholin-4-ylethoxy)pyrimidine-4,6-diamine;(3-methylphenyl)methanimine;molecular hydrogen?
The IUPAC name of 4-N,4-N-dimethyl-2-(2-morpholin-4-ylethoxy)pyrimidine-4,6-diamine;(3-methylphenyl)methanimine;molecular hydrogen (CID 143846877) is 4-N,4-N-dimethyl-2-(2-morpholin-4-ylethoxy)pyrimidine-4,6-diamine;(3-methylphenyl)methanimine;molecular hydrogen.
What is the SMILES notation for 4-N,4-N-dimethyl-2-(2-morpholin-4-ylethoxy)pyrimidine-4,6-diamine;(3-methylphenyl)methanimine;molecular hydrogen?
The canonical SMILES for 4-N,4-N-dimethyl-2-(2-morpholin-4-ylethoxy)pyrimidine-4,6-diamine;(3-methylphenyl)methanimine;molecular hydrogen is CN(C)c1cc(N)nc(OCCN2CCOCC2)n1.[H]/N=C/c1cccc(C)c1.[H][H].
What is the InChIKey of 4-N,4-N-dimethyl-2-(2-morpholin-4-ylethoxy)pyrimidine-4,6-diamine;(3-methylphenyl)methanimine;molecular hydrogen?
The InChIKey is PBODBQORXCSKQR-YJXWIHHLSA-N. The full InChI is InChI=1S/C12H21N5O2.C8H9N.H2/c1-16(2)11-9-10(13)14-12(15-11)19-8-5-17-3-6-18-7-4-17;1-7-3-2-4-8(5-7)6-9;/h9H,3-8H2,1-2H3,(H2,13,14,15);2-6,9H,1H3;1H/b;9-6+;.
What are the key properties of 4-N,4-N-dimethyl-2-(2-morpholin-4-ylethoxy)pyrimidine-4,6-diamine;(3-methylphenyl)methanimine;molecular hydrogen?
4-N,4-N-dimethyl-2-(2-morpholin-4-ylethoxy)pyrimidine-4,6-diamine;(3-methylphenyl)methanimine;molecular hydrogen has a molecular weight of 388.52 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-dimethyl-2-(2-morpholin-4-ylethoxy)pyrimidine-4,6-diamine;(3-methylphenyl)methanimine;molecular hydrogen is sourced from PubChem (CID 143846877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).