N-(cyclopropylmethyl)-2-morpholin-3-ylpyrimidin-4-amine;dihydrochloride

C12H20Cl2N4O — CID 155856046

IUPACN-(cyclopropylmethyl)-2-morpholin-3-ylpyrimidin-4-amine;dihydrochloride
SMILESCl.Cl.c1cc(NCC2CC2)nc(C2COCCN2)n1
InChIInChI=1S/C12H18N4O.2ClH/c1-2-9(1)7-15-11-3-4-14-12(16-11)10-8-17-6-5-13-10;;/h3-4,9-10,13H,1-2,5-8H2,(H,14,15,16);2*1H
InChIKeyAMVODNKDHSPARV-UHFFFAOYSA-N
MW307.23 g/mol
LogP1.80
Rot. Bonds4

About N-(cyclopropylmethyl)-2-morpholin-3-ylpyrimidin-4-amine;dihydrochloride

N-(cyclopropylmethyl)-2-morpholin-3-ylpyrimidin-4-amine;dihydrochloride (PubChem CID 155856046) has the molecular formula C12H20Cl2N4O and a molecular weight of 307.23 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-morpholin-3-ylpyrimidin-4-amine;dihydrochloride.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-morpholin-3-ylpyrimidin-4-amine;dihydrochloride
PubChem CID155856046
Molecular FormulaC12H20Cl2N4O
Molecular Weight307.23 g/mol
Exact Mass306.10
IUPAC NameN-(cyclopropylmethyl)-2-morpholin-3-ylpyrimidin-4-amine;dihydrochloride
SMILESCl.Cl.c1cc(NCC2CC2)nc(C2COCCN2)n1
InChIInChI=1S/C12H18N4O.2ClH/c1-2-9(1)7-15-11-3-4-14-12(16-11)10-8-17-6-5-13-10;;/h3-4,9-10,13H,1-2,5-8H2,(H,14,15,16);2*1H
InChIKeyAMVODNKDHSPARV-UHFFFAOYSA-N
XLogP1.80
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.23
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclobutyl-2-[(3R)-morpholin-3-yl]pyrimidin-4-amine
CID 97484647
2-morpholin-3-yl-N-(oxan-4-yl)pyrimidin-4-amine
CID 131639803
N-cyclobutyl-2-morpholin-3-ylpyrimidin-4-amine;bis(2,2,2-trifluoroacetic acid)
CID 155826082
3-[4-(1H-pyrrol-3-yl)pyrimidin-2-yl]morpholine
CID 116901807
N-(cyclopropylmethyl)-2-[(3R)-4-methylsulfonylmorpholin-3-yl]pyrimidin-4-amine
CID 97485736
N-(cyclopropylmethyl)-2-[(3S)-4-(pyridin-2-ylmethyl)morpholin-3-yl]pyrimidin-4-amine
CID 97487233
N-(cyclopropylmethyl)-2-[(3R)-4-(furan-3-ylmethyl)morpholin-3-yl]pyrimidin-4-amine
CID 97486517
3-[4-(3-fluorophenyl)pyrimidin-2-yl]morpholine
CID 116901814
N-(cyclopropylmethyl)-2-[(3R)-4-[(4-methoxyphenyl)methyl]morpholin-3-yl]pyrimidin-4-amine
CID 97484458
2-cyclopropyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine
CID 83836780
[(3S)-3-[4-(cyclopropylmethylamino)pyrimidin-2-yl]morpholin-4-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
CID 97486330
3-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]morpholine;hydrochloride
CID 75484039

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-morpholin-3-ylpyrimidin-4-amine;dihydrochloride?
The IUPAC name of N-(cyclopropylmethyl)-2-morpholin-3-ylpyrimidin-4-amine;dihydrochloride (CID 155856046) is N-(cyclopropylmethyl)-2-morpholin-3-ylpyrimidin-4-amine;dihydrochloride.
What is the SMILES notation for N-(cyclopropylmethyl)-2-morpholin-3-ylpyrimidin-4-amine;dihydrochloride?
The canonical SMILES for N-(cyclopropylmethyl)-2-morpholin-3-ylpyrimidin-4-amine;dihydrochloride is Cl.Cl.c1cc(NCC2CC2)nc(C2COCCN2)n1.
What is the InChIKey of N-(cyclopropylmethyl)-2-morpholin-3-ylpyrimidin-4-amine;dihydrochloride?
The InChIKey is AMVODNKDHSPARV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O.2ClH/c1-2-9(1)7-15-11-3-4-14-12(16-11)10-8-17-6-5-13-10;;/h3-4,9-10,13H,1-2,5-8H2,(H,14,15,16);2*1H.
What are the key properties of N-(cyclopropylmethyl)-2-morpholin-3-ylpyrimidin-4-amine;dihydrochloride?
N-(cyclopropylmethyl)-2-morpholin-3-ylpyrimidin-4-amine;dihydrochloride has a molecular weight of 307.23 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-morpholin-3-ylpyrimidin-4-amine;dihydrochloride is sourced from PubChem (CID 155856046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).