N-[(3-aminocyclopentyl)methyl]-6-methoxypyrimidin-4-amine

C11H18N4O — CID 106126816

IUPACN-[(3-aminocyclopentyl)methyl]-6-methoxypyrimidin-4-amine
SMILESCOc1cc(NCC2CCC(N)C2)ncn1
InChIInChI=1S/C11H18N4O/c1-16-11-5-10(14-7-15-11)13-6-8-2-3-9(12)4-8/h5,7-9H,2-4,6,12H2,1H3,(H,13,14,15)
InChIKeyMFOWSRKMMRMFJQ-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.02
Rot. Bonds4

About N-[(3-aminocyclopentyl)methyl]-6-methoxypyrimidin-4-amine

N-[(3-aminocyclopentyl)methyl]-6-methoxypyrimidin-4-amine (PubChem CID 106126816) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is N-[(3-aminocyclopentyl)methyl]-6-methoxypyrimidin-4-amine.

Molecular Properties

Compound NameN-[(3-aminocyclopentyl)methyl]-6-methoxypyrimidin-4-amine
PubChem CID106126816
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC NameN-[(3-aminocyclopentyl)methyl]-6-methoxypyrimidin-4-amine
SMILESCOc1cc(NCC2CCC(N)C2)ncn1
InChIInChI=1S/C11H18N4O/c1-16-11-5-10(14-7-15-11)13-6-8-2-3-9(12)4-8/h5,7-9H,2-4,6,12H2,1H3,(H,13,14,15)
InChIKeyMFOWSRKMMRMFJQ-UHFFFAOYSA-N
XLogP1.02
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-aminocyclohexyl)methyl]-6-methoxypyrimidin-4-amine
CID 114147282
N-[(3-aminocyclohexyl)methyl]-6-methoxypyrimidin-4-amine
CID 106128246
6-methoxy-N-[(4-methylcyclohexyl)methyl]pyrimidin-4-amine
CID 66326407
N-[(3-aminocyclopentyl)methyl]-6-methylpyrimidin-4-amine
CID 106126678
N-[(3-aminocyclohexyl)methyl]-6-ethoxypyrimidin-4-amine
CID 106128479
3-[[(6-methoxypyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 104917710
N-[(3-aminocyclopentyl)methyl]-6-methoxy-2-methylpyrimidin-4-amine
CID 106126705
N-[(3-aminocyclopentyl)methyl]-6-methoxypyrazin-2-amine
CID 106126810
4-N-(6-methoxypyrimidin-4-yl)cyclohexane-1,4-diamine
CID 66318521
3-(6-methoxypyrimidin-4-yl)oxycyclopentan-1-amine
CID 79465940
[2-[[(6-methoxypyrimidin-4-yl)amino]methyl]cyclopentyl]methanol
CID 66325187
6-methoxy-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine;hydrochloride
CID 66569768

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminocyclopentyl)methyl]-6-methoxypyrimidin-4-amine?
The IUPAC name of N-[(3-aminocyclopentyl)methyl]-6-methoxypyrimidin-4-amine (CID 106126816) is N-[(3-aminocyclopentyl)methyl]-6-methoxypyrimidin-4-amine.
What is the SMILES notation for N-[(3-aminocyclopentyl)methyl]-6-methoxypyrimidin-4-amine?
The canonical SMILES for N-[(3-aminocyclopentyl)methyl]-6-methoxypyrimidin-4-amine is COc1cc(NCC2CCC(N)C2)ncn1.
What is the InChIKey of N-[(3-aminocyclopentyl)methyl]-6-methoxypyrimidin-4-amine?
The InChIKey is MFOWSRKMMRMFJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-16-11-5-10(14-7-15-11)13-6-8-2-3-9(12)4-8/h5,7-9H,2-4,6,12H2,1H3,(H,13,14,15).
What are the key properties of N-[(3-aminocyclopentyl)methyl]-6-methoxypyrimidin-4-amine?
N-[(3-aminocyclopentyl)methyl]-6-methoxypyrimidin-4-amine has a molecular weight of 222.29 g/mol, XLogP of 1.02, 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-methoxypyrimidin-4-amine is sourced from PubChem (CID 106126816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).