N-[(1-cyclopropylcyclobutyl)methyl]-4-morpholin-4-ylpyrimidin-2-amine

C16H24N4O — CID 91646106

IUPACN-[(1-cyclopropylcyclobutyl)methyl]-4-morpholin-4-ylpyrimidin-2-amine
SMILESc1cc(N2CCOCC2)nc(NCC2(C3CC3)CCC2)n1
InChIInChI=1S/C16H24N4O/c1-5-16(6-1,13-2-3-13)12-18-15-17-7-4-14(19-15)20-8-10-21-11-9-20/h4,7,13H,1-3,5-6,8-12H2,(H,17,18,19)
InChIKeyCYBVFRPLRFZGMT-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.31
Rot. Bonds5

About N-[(1-cyclopropylcyclobutyl)methyl]-4-morpholin-4-ylpyrimidin-2-amine

N-[(1-cyclopropylcyclobutyl)methyl]-4-morpholin-4-ylpyrimidin-2-amine (PubChem CID 91646106) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is N-[(1-cyclopropylcyclobutyl)methyl]-4-morpholin-4-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[(1-cyclopropylcyclobutyl)methyl]-4-morpholin-4-ylpyrimidin-2-amine
PubChem CID91646106
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC NameN-[(1-cyclopropylcyclobutyl)methyl]-4-morpholin-4-ylpyrimidin-2-amine
SMILESc1cc(N2CCOCC2)nc(NCC2(C3CC3)CCC2)n1
InChIInChI=1S/C16H24N4O/c1-5-16(6-1,13-2-3-13)12-18-15-17-7-4-14(19-15)20-8-10-21-11-9-20/h4,7,13H,1-3,5-6,8-12H2,(H,17,18,19)
InChIKeyCYBVFRPLRFZGMT-UHFFFAOYSA-N
XLogP2.31
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-morpholin-4-yl-N-(2-phenylethyl)pyrimidin-2-amine
CID 112886384
4-morpholin-4-yl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]pyrimidin-2-amine
CID 166228948
4-morpholin-4-yl-N-(pyridin-3-ylmethyl)pyrimidin-2-amine
CID 112886382
(E)-3-[3-[[(4-morpholin-4-ylpyrimidin-2-yl)amino]methyl]azetidin-1-yl]prop-2-enal
CID 177305924
4-morpholin-4-yl-N-pyrrolidin-3-ylpyrimidin-2-amine
CID 171340440
N'-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-N-[4-(4-methylpiperazin-1-yl)pyrimidin-2-yl]ethane-1,2-diamine
CID 155812807
N-[2-(4-methoxyphenyl)ethyl]-4-morpholin-4-ylpyrimidin-2-amine
CID 112886390
4-(4-morpholin-4-ylpiperidin-1-yl)-N-phenylpyrimidin-2-amine
CID 58432936
N-[2-(2-methoxyphenyl)ethyl]-4-morpholin-4-ylpyrimidin-2-amine
CID 112886388
4-(4,4-dimethylazepan-1-yl)-N-propylpyrimidin-2-amine
CID 80843521
N-ethyl-4-(4-propan-2-ylazepan-1-yl)pyrimidin-2-amine
CID 80836906
4-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-N-ethylpyrimidin-2-amine
CID 80830977

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopropylcyclobutyl)methyl]-4-morpholin-4-ylpyrimidin-2-amine?
The IUPAC name of N-[(1-cyclopropylcyclobutyl)methyl]-4-morpholin-4-ylpyrimidin-2-amine (CID 91646106) is N-[(1-cyclopropylcyclobutyl)methyl]-4-morpholin-4-ylpyrimidin-2-amine.
What is the SMILES notation for N-[(1-cyclopropylcyclobutyl)methyl]-4-morpholin-4-ylpyrimidin-2-amine?
The canonical SMILES for N-[(1-cyclopropylcyclobutyl)methyl]-4-morpholin-4-ylpyrimidin-2-amine is c1cc(N2CCOCC2)nc(NCC2(C3CC3)CCC2)n1.
What is the InChIKey of N-[(1-cyclopropylcyclobutyl)methyl]-4-morpholin-4-ylpyrimidin-2-amine?
The InChIKey is CYBVFRPLRFZGMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-5-16(6-1,13-2-3-13)12-18-15-17-7-4-14(19-15)20-8-10-21-11-9-20/h4,7,13H,1-3,5-6,8-12H2,(H,17,18,19).
What are the key properties of N-[(1-cyclopropylcyclobutyl)methyl]-4-morpholin-4-ylpyrimidin-2-amine?
N-[(1-cyclopropylcyclobutyl)methyl]-4-morpholin-4-ylpyrimidin-2-amine has a molecular weight of 288.39 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopropylcyclobutyl)methyl]-4-morpholin-4-ylpyrimidin-2-amine is sourced from PubChem (CID 91646106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).