N-[(3-aminocyclopentyl)methyl]-6-methoxy-2-methylpyrimidin-4-amine

C12H20N4O — CID 106126705

IUPACN-[(3-aminocyclopentyl)methyl]-6-methoxy-2-methylpyrimidin-4-amine
SMILESCOc1cc(NCC2CCC(N)C2)nc(C)n1
InChIInChI=1S/C12H20N4O/c1-8-15-11(6-12(16-8)17-2)14-7-9-3-4-10(13)5-9/h6,9-10H,3-5,7,13H2,1-2H3,(H,14,15,16)
InChIKeyUBVOSJQXYWEILH-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.33
Rot. Bonds4

About N-[(3-aminocyclopentyl)methyl]-6-methoxy-2-methylpyrimidin-4-amine

N-[(3-aminocyclopentyl)methyl]-6-methoxy-2-methylpyrimidin-4-amine (PubChem CID 106126705) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is N-[(3-aminocyclopentyl)methyl]-6-methoxy-2-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(3-aminocyclopentyl)methyl]-6-methoxy-2-methylpyrimidin-4-amine
PubChem CID106126705
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC NameN-[(3-aminocyclopentyl)methyl]-6-methoxy-2-methylpyrimidin-4-amine
SMILESCOc1cc(NCC2CCC(N)C2)nc(C)n1
InChIInChI=1S/C12H20N4O/c1-8-15-11(6-12(16-8)17-2)14-7-9-3-4-10(13)5-9/h6,9-10H,3-5,7,13H2,1-2H3,(H,14,15,16)
InChIKeyUBVOSJQXYWEILH-UHFFFAOYSA-N
XLogP1.33
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-ethylcyclohexyl)methyl]-6-methoxy-2-methylpyrimidin-4-amine
CID 66324640
3-[[(6-methoxy-2-methylpyrimidin-4-yl)amino]methyl]cyclobutan-1-ol
CID 66326326
N-[(3-aminocyclopentyl)methyl]-6-methoxypyrimidin-4-amine
CID 106126816
N-[(3-aminocyclopentyl)methyl]-6-methoxypyrazin-2-amine
CID 106126810
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-6-methoxy-2-methylpyrimidin-4-amine
CID 66324847
N-[3-(4-aminocyclohexyl)oxypropyl]-6-methoxy-2-methylpyrimidin-4-amine
CID 66331858
2-[[(6-methoxy-2-methylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
CID 66326314
N-(cyclopropylmethyl)-2,6-dimethylpyrimidin-4-amine
CID 60732015
N-[(3-aminocyclohexyl)methyl]-6-methoxypyrimidin-4-amine
CID 106128246
N-[(4-aminocyclohexyl)methyl]-6-methoxypyrimidin-4-amine
CID 114147282
N-(cyclobutylmethyl)-6-ethoxy-2-methylpyrimidin-4-amine
CID 66326683
N-[(3-aminocyclopentyl)methyl]-6-methylpyrimidin-4-amine
CID 106126678

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminocyclopentyl)methyl]-6-methoxy-2-methylpyrimidin-4-amine?
The IUPAC name of N-[(3-aminocyclopentyl)methyl]-6-methoxy-2-methylpyrimidin-4-amine (CID 106126705) is N-[(3-aminocyclopentyl)methyl]-6-methoxy-2-methylpyrimidin-4-amine.
What is the SMILES notation for N-[(3-aminocyclopentyl)methyl]-6-methoxy-2-methylpyrimidin-4-amine?
The canonical SMILES for N-[(3-aminocyclopentyl)methyl]-6-methoxy-2-methylpyrimidin-4-amine is COc1cc(NCC2CCC(N)C2)nc(C)n1.
What is the InChIKey of N-[(3-aminocyclopentyl)methyl]-6-methoxy-2-methylpyrimidin-4-amine?
The InChIKey is UBVOSJQXYWEILH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-8-15-11(6-12(16-8)17-2)14-7-9-3-4-10(13)5-9/h6,9-10H,3-5,7,13H2,1-2H3,(H,14,15,16).
What are the key properties of N-[(3-aminocyclopentyl)methyl]-6-methoxy-2-methylpyrimidin-4-amine?
N-[(3-aminocyclopentyl)methyl]-6-methoxy-2-methylpyrimidin-4-amine has a molecular weight of 236.32 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminocyclopentyl)methyl]-6-methoxy-2-methylpyrimidin-4-amine is sourced from PubChem (CID 106126705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).