N-[[1-(dimethylamino)cyclopentyl]methyl]-4-methylpyrimidin-2-amine

C13H22N4 — CID 78995555

IUPACN-[[1-(dimethylamino)cyclopentyl]methyl]-4-methylpyrimidin-2-amine
SMILESCc1ccnc(NCC2(N(C)C)CCCC2)n1
InChIInChI=1S/C13H22N4/c1-11-6-9-14-12(16-11)15-10-13(17(2)3)7-4-5-8-13/h6,9H,4-5,7-8,10H2,1-3H3,(H,14,15,16)
InChIKeyKSXRYWSKDZGPSU-UHFFFAOYSA-N
MW234.35 g/mol
LogP2.07
Rot. Bonds4

About N-[[1-(dimethylamino)cyclopentyl]methyl]-4-methylpyrimidin-2-amine

N-[[1-(dimethylamino)cyclopentyl]methyl]-4-methylpyrimidin-2-amine (PubChem CID 78995555) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is N-[[1-(dimethylamino)cyclopentyl]methyl]-4-methylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[[1-(dimethylamino)cyclopentyl]methyl]-4-methylpyrimidin-2-amine
PubChem CID78995555
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC NameN-[[1-(dimethylamino)cyclopentyl]methyl]-4-methylpyrimidin-2-amine
SMILESCc1ccnc(NCC2(N(C)C)CCCC2)n1
InChIInChI=1S/C13H22N4/c1-11-6-9-14-12(16-11)15-10-13(17(2)3)7-4-5-8-13/h6,9H,4-5,7-8,10H2,1-3H3,(H,14,15,16)
InChIKeyKSXRYWSKDZGPSU-UHFFFAOYSA-N
XLogP2.07
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-Pyrrolidinyl)-4-pyrimidinemethanamine
CID 53567848
2-Amino-4-pyrimidinemethanamine
CID 16227936
4-Methyl-2-(piperazin-1-yl)pyrimidine dihydrochloride
CID 18364978
Methyl[(pyrimidin-4-yl)methyl]amine dihydrochloride
CID 75485360
N-{[1-(Dimethylamino)cyclopentyl]methyl}-6-isopropylpyrimidin-4-amine
CID 72838664
N-{[4-(dimethylamino)tetrahydro-2H-pyran-4-yl]methyl}-4-methylpyrimidin-2-amine
CID 72883890
N-{[4-(dimethylamino)-1-ethylpiperidin-4-yl]methyl}-4-methylpyrimidin-2-amine
CID 72912703
1-Tert-butyl-3-[[2-(dimethylamino)pyrimidin-4-yl]methyl]urea
CID 75444258
1-[[2-(Dimethylamino)pyrimidin-4-yl]methyl]-3-ethylurea
CID 75444259
2-[3-(Dimethylamino)propyl]-1-(4-methylpyrimidin-2-yl)guanidine
CID 168298590
N,4-Dimethylpyrimidin-2-amine
CID 12707501
N-Butyl-4-methylpyrimidin-2-amine
CID 62958720

Frequently Asked Questions

What is the IUPAC name of N-[[1-(dimethylamino)cyclopentyl]methyl]-4-methylpyrimidin-2-amine?
The IUPAC name of N-[[1-(dimethylamino)cyclopentyl]methyl]-4-methylpyrimidin-2-amine (CID 78995555) is N-[[1-(dimethylamino)cyclopentyl]methyl]-4-methylpyrimidin-2-amine.
What is the SMILES notation for N-[[1-(dimethylamino)cyclopentyl]methyl]-4-methylpyrimidin-2-amine?
The canonical SMILES for N-[[1-(dimethylamino)cyclopentyl]methyl]-4-methylpyrimidin-2-amine is Cc1ccnc(NCC2(N(C)C)CCCC2)n1.
What is the InChIKey of N-[[1-(dimethylamino)cyclopentyl]methyl]-4-methylpyrimidin-2-amine?
The InChIKey is KSXRYWSKDZGPSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-11-6-9-14-12(16-11)15-10-13(17(2)3)7-4-5-8-13/h6,9H,4-5,7-8,10H2,1-3H3,(H,14,15,16).
What are the key properties of N-[[1-(dimethylamino)cyclopentyl]methyl]-4-methylpyrimidin-2-amine?
N-[[1-(dimethylamino)cyclopentyl]methyl]-4-methylpyrimidin-2-amine has a molecular weight of 234.35 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(dimethylamino)cyclopentyl]methyl]-4-methylpyrimidin-2-amine is sourced from PubChem (CID 78995555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).