N-[(3,3-dimethylpiperidin-2-yl)methyl]-6-methoxypyrimidin-4-amine

C13H22N4O — CID 114083960

IUPACN-[(3,3-dimethylpiperidin-2-yl)methyl]-6-methoxypyrimidin-4-amine
SMILESCOc1cc(NCC2NCCCC2(C)C)ncn1
InChIInChI=1S/C13H22N4O/c1-13(2)5-4-6-14-10(13)8-15-11-7-12(18-3)17-9-16-11/h7,9-10,14H,4-6,8H2,1-3H3,(H,15,16,17)
InChIKeyMKWZCWQFWMVXKF-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.68
Rot. Bonds4

About N-[(3,3-dimethylpiperidin-2-yl)methyl]-6-methoxypyrimidin-4-amine

N-[(3,3-dimethylpiperidin-2-yl)methyl]-6-methoxypyrimidin-4-amine (PubChem CID 114083960) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is N-[(3,3-dimethylpiperidin-2-yl)methyl]-6-methoxypyrimidin-4-amine.

Molecular Properties

Compound NameN-[(3,3-dimethylpiperidin-2-yl)methyl]-6-methoxypyrimidin-4-amine
PubChem CID114083960
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC NameN-[(3,3-dimethylpiperidin-2-yl)methyl]-6-methoxypyrimidin-4-amine
SMILESCOc1cc(NCC2NCCCC2(C)C)ncn1
InChIInChI=1S/C13H22N4O/c1-13(2)5-4-6-14-10(13)8-15-11-7-12(18-3)17-9-16-11/h7,9-10,14H,4-6,8H2,1-3H3,(H,15,16,17)
InChIKeyMKWZCWQFWMVXKF-UHFFFAOYSA-N
XLogP1.68
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-methoxy-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine;hydrochloride
CID 66569768
N-[(3,3-dimethylpiperidin-2-yl)methyl]-4,6-dimethylpyrimidin-2-amine
CID 114083950
6-methoxy-N-[(4-methylcyclohexyl)methyl]pyrimidin-4-amine
CID 66326407
N-[(4-aminocyclohexyl)methyl]-6-methoxypyrimidin-4-amine
CID 114147282
N-[(1-cyclopropylcyclopropyl)methyl]-6-methoxypyrimidin-4-amine
CID 104918007
[2-[[(6-methoxypyrimidin-4-yl)amino]methyl]cyclopentyl]methanol
CID 66325187
N-[(3-aminocyclohexyl)methyl]-6-methoxypyrimidin-4-amine
CID 106128246
N-[(3-aminocyclopentyl)methyl]-6-methoxypyrimidin-4-amine
CID 106126816
N-[[1-(chloromethyl)cyclopentyl]methyl]-6-methoxypyrimidin-4-amine
CID 115363649
3-[[(6-methoxypyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 104917710
N-[(1-ethylpyrrolidin-2-yl)methyl]-6-methoxypyrimidin-4-amine
CID 66325160
6-ethoxy-N-[(1-methylcyclopropyl)methyl]pyrimidin-4-amine
CID 104917819

Frequently Asked Questions

What is the IUPAC name of N-[(3,3-dimethylpiperidin-2-yl)methyl]-6-methoxypyrimidin-4-amine?
The IUPAC name of N-[(3,3-dimethylpiperidin-2-yl)methyl]-6-methoxypyrimidin-4-amine (CID 114083960) is N-[(3,3-dimethylpiperidin-2-yl)methyl]-6-methoxypyrimidin-4-amine.
What is the SMILES notation for N-[(3,3-dimethylpiperidin-2-yl)methyl]-6-methoxypyrimidin-4-amine?
The canonical SMILES for N-[(3,3-dimethylpiperidin-2-yl)methyl]-6-methoxypyrimidin-4-amine is COc1cc(NCC2NCCCC2(C)C)ncn1.
What is the InChIKey of N-[(3,3-dimethylpiperidin-2-yl)methyl]-6-methoxypyrimidin-4-amine?
The InChIKey is MKWZCWQFWMVXKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-13(2)5-4-6-14-10(13)8-15-11-7-12(18-3)17-9-16-11/h7,9-10,14H,4-6,8H2,1-3H3,(H,15,16,17).
What are the key properties of N-[(3,3-dimethylpiperidin-2-yl)methyl]-6-methoxypyrimidin-4-amine?
N-[(3,3-dimethylpiperidin-2-yl)methyl]-6-methoxypyrimidin-4-amine has a molecular weight of 250.35 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,3-dimethylpiperidin-2-yl)methyl]-6-methoxypyrimidin-4-amine is sourced from PubChem (CID 114083960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).