4-amino-2-[[1-(hydroxymethyl)cyclobutyl]methylamino]pyrimidine-5-carbonitrile

C11H15N5O — CID 131952801

IUPAC4-amino-2-[[1-(hydroxymethyl)cyclobutyl]methylamino]pyrimidine-5-carbonitrile
SMILESN#Cc1cnc(NCC2(CO)CCC2)nc1N
InChIInChI=1S/C11H15N5O/c12-4-8-5-14-10(16-9(8)13)15-6-11(7-17)2-1-3-11/h5,17H,1-3,6-7H2,(H3,13,14,15,16)
InChIKeyFFZHLPPDRWFIAL-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.50
Rot. Bonds4

About 4-amino-2-[[1-(hydroxymethyl)cyclobutyl]methylamino]pyrimidine-5-carbonitrile

4-amino-2-[[1-(hydroxymethyl)cyclobutyl]methylamino]pyrimidine-5-carbonitrile (PubChem CID 131952801) has the molecular formula C11H15N5O and a molecular weight of 233.27 g/mol. Its IUPAC name is 4-amino-2-[[1-(hydroxymethyl)cyclobutyl]methylamino]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-amino-2-[[1-(hydroxymethyl)cyclobutyl]methylamino]pyrimidine-5-carbonitrile
PubChem CID131952801
Molecular FormulaC11H15N5O
Molecular Weight233.27 g/mol
Exact Mass233.13
IUPAC Name4-amino-2-[[1-(hydroxymethyl)cyclobutyl]methylamino]pyrimidine-5-carbonitrile
SMILESN#Cc1cnc(NCC2(CO)CCC2)nc1N
InChIInChI=1S/C11H15N5O/c12-4-8-5-14-10(16-9(8)13)15-6-11(7-17)2-1-3-11/h5,17H,1-3,6-7H2,(H3,13,14,15,16)
InChIKeyFFZHLPPDRWFIAL-UHFFFAOYSA-N
XLogP0.50
TPSA107.85 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-2-(prop-2-ynylamino)pyrimidine-5-carbonitrile
CID 155564399
5-amino-6-[[1-(hydroxymethyl)cyclopentyl]methylamino]pyridine-3-carbonitrile
CID 103468880
2-amino-3-[[1-(hydroxymethyl)cyclopentyl]methylamino]benzonitrile
CID 113444816
4-amino-2-(cyclohexylamino)pyrimidine-5-carbonitrile
CID 4163635
5-methyl-2-N-[[1-(2-methylpropyl)cyclobutyl]methyl]pyrimidine-2,4-diamine
CID 134697657
4-amino-2-(cyclopropylamino)pyrimidine-5-carbonitrile
CID 25020947
4-amino-2-(3-morpholin-4-ylpropylamino)pyrimidine-5-carbonitrile
CID 146673965
[1-[[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]methyl]cyclohexyl]methanol
CID 103968793
4-amino-2-[2-(1-cyclopentylpiperidin-2-yl)ethylamino]pyrimidine-5-carbonitrile
CID 131908435
[1-[[(2-amino-5-methylpyrimidin-4-yl)amino]methyl]cyclohexyl]methanol
CID 103968719
2-[[1-(hydroxymethyl)cyclopropyl]methylamino]-5,6-dimethylpyridine-3-carbonitrile
CID 122571608
[1-[[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]methyl]cyclohexyl]methanol
CID 112746327

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[[1-(hydroxymethyl)cyclobutyl]methylamino]pyrimidine-5-carbonitrile?
The IUPAC name of 4-amino-2-[[1-(hydroxymethyl)cyclobutyl]methylamino]pyrimidine-5-carbonitrile (CID 131952801) is 4-amino-2-[[1-(hydroxymethyl)cyclobutyl]methylamino]pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-amino-2-[[1-(hydroxymethyl)cyclobutyl]methylamino]pyrimidine-5-carbonitrile?
The canonical SMILES for 4-amino-2-[[1-(hydroxymethyl)cyclobutyl]methylamino]pyrimidine-5-carbonitrile is N#Cc1cnc(NCC2(CO)CCC2)nc1N.
What is the InChIKey of 4-amino-2-[[1-(hydroxymethyl)cyclobutyl]methylamino]pyrimidine-5-carbonitrile?
The InChIKey is FFZHLPPDRWFIAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c12-4-8-5-14-10(16-9(8)13)15-6-11(7-17)2-1-3-11/h5,17H,1-3,6-7H2,(H3,13,14,15,16).
What are the key properties of 4-amino-2-[[1-(hydroxymethyl)cyclobutyl]methylamino]pyrimidine-5-carbonitrile?
4-amino-2-[[1-(hydroxymethyl)cyclobutyl]methylamino]pyrimidine-5-carbonitrile has a molecular weight of 233.27 g/mol, XLogP of 0.50, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[[1-(hydroxymethyl)cyclobutyl]methylamino]pyrimidine-5-carbonitrile is sourced from PubChem (CID 131952801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).