N-[(1-cyclopropylcyclopropyl)methyl]-6-methoxypyrimidin-4-amine

C12H17N3O — CID 104918007

IUPACN-[(1-cyclopropylcyclopropyl)methyl]-6-methoxypyrimidin-4-amine
SMILESCOc1cc(NCC2(C3CC3)CC2)ncn1
InChIInChI=1S/C12H17N3O/c1-16-11-6-10(14-8-15-11)13-7-12(4-5-12)9-2-3-9/h6,8-9H,2-5,7H2,1H3,(H,13,14,15)
InChIKeyRVCIPKZISUEIPS-UHFFFAOYSA-N
MW219.29 g/mol
LogP2.09
Rot. Bonds5

About N-[(1-cyclopropylcyclopropyl)methyl]-6-methoxypyrimidin-4-amine

N-[(1-cyclopropylcyclopropyl)methyl]-6-methoxypyrimidin-4-amine (PubChem CID 104918007) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is N-[(1-cyclopropylcyclopropyl)methyl]-6-methoxypyrimidin-4-amine.

Molecular Properties

Compound NameN-[(1-cyclopropylcyclopropyl)methyl]-6-methoxypyrimidin-4-amine
PubChem CID104918007
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC NameN-[(1-cyclopropylcyclopropyl)methyl]-6-methoxypyrimidin-4-amine
SMILESCOc1cc(NCC2(C3CC3)CC2)ncn1
InChIInChI=1S/C12H17N3O/c1-16-11-6-10(14-8-15-11)13-7-12(4-5-12)9-2-3-9/h6,8-9H,2-5,7H2,1H3,(H,13,14,15)
InChIKeyRVCIPKZISUEIPS-UHFFFAOYSA-N
XLogP2.09
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(chloromethyl)cyclopentyl]methyl]-6-methoxypyrimidin-4-amine
CID 115363649
4-ethyl-1-[[(6-methoxypyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 66327648
N-[(4-aminocyclohexyl)methyl]-6-methoxypyrimidin-4-amine
CID 114147282
6-methoxy-N-[(4-methylcyclohexyl)methyl]pyrimidin-4-amine
CID 66326407
6-ethoxy-N-[(1-methylcyclopropyl)methyl]pyrimidin-4-amine
CID 104917819
N-(6-methoxypyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine
CID 66325776
N-[(3-aminocyclopentyl)methyl]-6-methoxypyrimidin-4-amine
CID 106126816
N-[(1-ethylpyrrolidin-2-yl)methyl]-6-methoxypyrimidin-4-amine
CID 66325160
6-methoxy-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine;hydrochloride
CID 66569768
[2-[[(6-methoxypyrimidin-4-yl)amino]methyl]cyclopentyl]methanol
CID 66325187
1-N-(6-methoxypyrimidin-4-yl)-2-methylpropane-1,2-diamine
CID 115303807
N-[(3,3-dimethylpiperidin-2-yl)methyl]-6-methoxypyrimidin-4-amine
CID 114083960

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopropylcyclopropyl)methyl]-6-methoxypyrimidin-4-amine?
The IUPAC name of N-[(1-cyclopropylcyclopropyl)methyl]-6-methoxypyrimidin-4-amine (CID 104918007) is N-[(1-cyclopropylcyclopropyl)methyl]-6-methoxypyrimidin-4-amine.
What is the SMILES notation for N-[(1-cyclopropylcyclopropyl)methyl]-6-methoxypyrimidin-4-amine?
The canonical SMILES for N-[(1-cyclopropylcyclopropyl)methyl]-6-methoxypyrimidin-4-amine is COc1cc(NCC2(C3CC3)CC2)ncn1.
What is the InChIKey of N-[(1-cyclopropylcyclopropyl)methyl]-6-methoxypyrimidin-4-amine?
The InChIKey is RVCIPKZISUEIPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-16-11-6-10(14-8-15-11)13-7-12(4-5-12)9-2-3-9/h6,8-9H,2-5,7H2,1H3,(H,13,14,15).
What are the key properties of N-[(1-cyclopropylcyclopropyl)methyl]-6-methoxypyrimidin-4-amine?
N-[(1-cyclopropylcyclopropyl)methyl]-6-methoxypyrimidin-4-amine has a molecular weight of 219.29 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopropylcyclopropyl)methyl]-6-methoxypyrimidin-4-amine is sourced from PubChem (CID 104918007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).