4,6-dimethoxy-5-N-methyl-2-N-(3-morpholin-4-ylpropyl)pyrimidine-2,5-diamine

C14H25N5O3 — CID 143380800

IUPAC4,6-dimethoxy-5-N-methyl-2-N-(3-morpholin-4-ylpropyl)pyrimidine-2,5-diamine
SMILESCNc1c(OC)nc(NCCCN2CCOCC2)nc1OC
InChIInChI=1S/C14H25N5O3/c1-15-11-12(20-2)17-14(18-13(11)21-3)16-5-4-6-19-7-9-22-10-8-19/h15H,4-10H2,1-3H3,(H,16,17,18)
InChIKeyBOYJRCIWEQLAOO-UHFFFAOYSA-N
MW311.39 g/mol
LogP0.67
Rot. Bonds8

About 4,6-dimethoxy-5-N-methyl-2-N-(3-morpholin-4-ylpropyl)pyrimidine-2,5-diamine

4,6-dimethoxy-5-N-methyl-2-N-(3-morpholin-4-ylpropyl)pyrimidine-2,5-diamine (PubChem CID 143380800) has the molecular formula C14H25N5O3 and a molecular weight of 311.39 g/mol. Its IUPAC name is 4,6-dimethoxy-5-N-methyl-2-N-(3-morpholin-4-ylpropyl)pyrimidine-2,5-diamine.

Molecular Properties

Compound Name4,6-dimethoxy-5-N-methyl-2-N-(3-morpholin-4-ylpropyl)pyrimidine-2,5-diamine
PubChem CID143380800
Molecular FormulaC14H25N5O3
Molecular Weight311.39 g/mol
Exact Mass311.20
IUPAC Name4,6-dimethoxy-5-N-methyl-2-N-(3-morpholin-4-ylpropyl)pyrimidine-2,5-diamine
SMILESCNc1c(OC)nc(NCCCN2CCOCC2)nc1OC
InChIInChI=1S/C14H25N5O3/c1-15-11-12(20-2)17-14(18-13(11)21-3)16-5-4-6-19-7-9-22-10-8-19/h15H,4-10H2,1-3H3,(H,16,17,18)
InChIKeyBOYJRCIWEQLAOO-UHFFFAOYSA-N
XLogP0.67
TPSA80.77 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

4,6-dimethoxy-N-(3-morpholin-4-ylpropyl)-5-nitropyrimidin-2-amine;ethane
CID 142192256
azane;6-N-methyl-2-N-(3-morpholin-4-ylpropyl)-4-N-propyl-1,3,5-triazine-2,4,6-triamine
CID 91085436
6-methoxy-4-N-methyl-2-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine
CID 80777051
6-methoxy-5-methyl-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
CID 66324992
6-methoxy-4-N-methyl-2-N-(3-pyrrolidin-1-ylpropyl)-1,3,5-triazine-2,4-diamine
CID 80830863
6-methoxy-4-N-(3-morpholin-4-ylpropyl)-2-propylpyrimidine-4,5-diamine
CID 82455993
N-[4,6-dimethoxy-2-(3-morpholin-4-ylpropylamino)pyrimidin-5-yl]-5-(2-trimethylsilylpyrimidin-4-yl)oxyfuran-2-carboxamide
CID 11685462
1-methyl-4-morpholin-4-yl-N-(3-morpholin-4-ylpropyl)pyrazolo[5,4-d]pyrimidin-6-amine
CID 46345391
6-methyl-4-N-(3-morpholin-4-ylpropyl)-2-N-(2,4,6-trimethylphenyl)-1,3,5-triazine-2,4-diamine
CID 10785410
6-methyl-2-(3-morpholin-4-ylpropylamino)pyrimidine-4-carbonitrile
CID 107543599
4-amino-6-(4-methoxyphenyl)-2-(3-morpholin-4-ylpropylamino)pyrimidine-5-carbonitrile
CID 76506743
5-[(2-chloro-5-methylpyrimidin-4-yl)amino]-N-[4,6-dimethoxy-2-(3-morpholin-4-ylpropylamino)pyrimidin-5-yl]furan-2-carboxamide
CID 91000206

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethoxy-5-N-methyl-2-N-(3-morpholin-4-ylpropyl)pyrimidine-2,5-diamine?
The IUPAC name of 4,6-dimethoxy-5-N-methyl-2-N-(3-morpholin-4-ylpropyl)pyrimidine-2,5-diamine (CID 143380800) is 4,6-dimethoxy-5-N-methyl-2-N-(3-morpholin-4-ylpropyl)pyrimidine-2,5-diamine.
What is the SMILES notation for 4,6-dimethoxy-5-N-methyl-2-N-(3-morpholin-4-ylpropyl)pyrimidine-2,5-diamine?
The canonical SMILES for 4,6-dimethoxy-5-N-methyl-2-N-(3-morpholin-4-ylpropyl)pyrimidine-2,5-diamine is CNc1c(OC)nc(NCCCN2CCOCC2)nc1OC.
What is the InChIKey of 4,6-dimethoxy-5-N-methyl-2-N-(3-morpholin-4-ylpropyl)pyrimidine-2,5-diamine?
The InChIKey is BOYJRCIWEQLAOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O3/c1-15-11-12(20-2)17-14(18-13(11)21-3)16-5-4-6-19-7-9-22-10-8-19/h15H,4-10H2,1-3H3,(H,16,17,18).
What are the key properties of 4,6-dimethoxy-5-N-methyl-2-N-(3-morpholin-4-ylpropyl)pyrimidine-2,5-diamine?
4,6-dimethoxy-5-N-methyl-2-N-(3-morpholin-4-ylpropyl)pyrimidine-2,5-diamine has a molecular weight of 311.39 g/mol, XLogP of 0.67, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethoxy-5-N-methyl-2-N-(3-morpholin-4-ylpropyl)pyrimidine-2,5-diamine is sourced from PubChem (CID 143380800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).