N-[(3-aminocyclopentyl)methyl]-4-methyl-6-propan-2-ylpyrimidin-2-amine

C14H24N4 — CID 106127087

IUPACN-[(3-aminocyclopentyl)methyl]-4-methyl-6-propan-2-ylpyrimidin-2-amine
SMILESCc1cc(C(C)C)nc(NCC2CCC(N)C2)n1
InChIInChI=1S/C14H24N4/c1-9(2)13-6-10(3)17-14(18-13)16-8-11-4-5-12(15)7-11/h6,9,11-12H,4-5,7-8,15H2,1-3H3,(H,16,17,18)
InChIKeyXULWLEAZXALLPU-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.45
Rot. Bonds4

About N-[(3-aminocyclopentyl)methyl]-4-methyl-6-propan-2-ylpyrimidin-2-amine

N-[(3-aminocyclopentyl)methyl]-4-methyl-6-propan-2-ylpyrimidin-2-amine (PubChem CID 106127087) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is N-[(3-aminocyclopentyl)methyl]-4-methyl-6-propan-2-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[(3-aminocyclopentyl)methyl]-4-methyl-6-propan-2-ylpyrimidin-2-amine
PubChem CID106127087
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC NameN-[(3-aminocyclopentyl)methyl]-4-methyl-6-propan-2-ylpyrimidin-2-amine
SMILESCc1cc(C(C)C)nc(NCC2CCC(N)C2)n1
InChIInChI=1S/C14H24N4/c1-9(2)13-6-10(3)17-14(18-13)16-8-11-4-5-12(15)7-11/h6,9,11-12H,4-5,7-8,15H2,1-3H3,(H,16,17,18)
InChIKeyXULWLEAZXALLPU-UHFFFAOYSA-N
XLogP2.45
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-N'-(4-methyl-6-propan-2-ylpyrimidin-2-yl)ethane-1,2-diamine
CID 113491544
N-(cyclopropylmethyl)-4-ethyl-6-methylpyrimidin-2-amine
CID 131153777
N-(1-cyclopropylbutan-2-yl)-4-methyl-6-propan-2-ylpyrimidin-2-amine
CID 113491506
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-methyl-6-propan-2-ylpyrimidin-2-amine
CID 107389737
4,6-dimethyl-N-[[4-(trifluoromethyl)cyclohexyl]methyl]pyrimidin-2-amine
CID 123277786
N-[(3-aminocyclopentyl)methyl]-6-methylpyrimidin-4-amine
CID 106126678
N-[(3-aminocyclopentyl)methyl]-2-methylquinolin-4-amine
CID 106127195
4-methoxy-6-methyl-N-[(3-methylcyclopentyl)methyl]pyrimidin-2-amine
CID 107413883
N-(2,2-dimethoxyethyl)-4-methyl-6-propan-2-ylpyrimidin-2-amine
CID 107390199
N-[(3-aminocyclopentyl)methyl]-4-propan-2-yloxypyrimidin-2-amine
CID 106126729
2,2-dimethyl-N-(4-methyl-6-propan-2-ylpyrimidin-2-yl)pentane-1,5-diamine
CID 106142913
N-(cyclobutylmethyl)-4-methyl-6-propan-2-yloxypyrimidin-2-amine
CID 112636641

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminocyclopentyl)methyl]-4-methyl-6-propan-2-ylpyrimidin-2-amine?
The IUPAC name of N-[(3-aminocyclopentyl)methyl]-4-methyl-6-propan-2-ylpyrimidin-2-amine (CID 106127087) is N-[(3-aminocyclopentyl)methyl]-4-methyl-6-propan-2-ylpyrimidin-2-amine.
What is the SMILES notation for N-[(3-aminocyclopentyl)methyl]-4-methyl-6-propan-2-ylpyrimidin-2-amine?
The canonical SMILES for N-[(3-aminocyclopentyl)methyl]-4-methyl-6-propan-2-ylpyrimidin-2-amine is Cc1cc(C(C)C)nc(NCC2CCC(N)C2)n1.
What is the InChIKey of N-[(3-aminocyclopentyl)methyl]-4-methyl-6-propan-2-ylpyrimidin-2-amine?
The InChIKey is XULWLEAZXALLPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-9(2)13-6-10(3)17-14(18-13)16-8-11-4-5-12(15)7-11/h6,9,11-12H,4-5,7-8,15H2,1-3H3,(H,16,17,18).
What are the key properties of N-[(3-aminocyclopentyl)methyl]-4-methyl-6-propan-2-ylpyrimidin-2-amine?
N-[(3-aminocyclopentyl)methyl]-4-methyl-6-propan-2-ylpyrimidin-2-amine has a molecular weight of 248.37 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminocyclopentyl)methyl]-4-methyl-6-propan-2-ylpyrimidin-2-amine is sourced from PubChem (CID 106127087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).