N-(1,2-dimethylpiperidin-4-yl)-4-methoxypyrimidin-2-amine

C12H20N4O — CID 112695266

IUPACN-(1,2-dimethylpiperidin-4-yl)-4-methoxypyrimidin-2-amine
SMILESCOc1ccnc(NC2CCN(C)C(C)C2)n1
InChIInChI=1S/C12H20N4O/c1-9-8-10(5-7-16(9)2)14-12-13-6-4-11(15-12)17-3/h4,6,9-10H,5,7-8H2,1-3H3,(H,13,14,15)
InChIKeyYVXCNVSCXXAJAN-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.38
Rot. Bonds3

About N-(1,2-dimethylpiperidin-4-yl)-4-methoxypyrimidin-2-amine

N-(1,2-dimethylpiperidin-4-yl)-4-methoxypyrimidin-2-amine (PubChem CID 112695266) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is N-(1,2-dimethylpiperidin-4-yl)-4-methoxypyrimidin-2-amine.

Molecular Properties

Compound NameN-(1,2-dimethylpiperidin-4-yl)-4-methoxypyrimidin-2-amine
PubChem CID112695266
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC NameN-(1,2-dimethylpiperidin-4-yl)-4-methoxypyrimidin-2-amine
SMILESCOc1ccnc(NC2CCN(C)C(C)C2)n1
InChIInChI=1S/C12H20N4O/c1-9-8-10(5-7-16(9)2)14-12-13-6-4-11(15-12)17-3/h4,6,9-10H,5,7-8H2,1-3H3,(H,13,14,15)
InChIKeyYVXCNVSCXXAJAN-UHFFFAOYSA-N
XLogP1.38
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,2-dimethylpiperidin-4-yl)-4-methoxy-6-methylpyrimidin-2-amine
CID 112695265
4-methoxy-N-(1-propylpiperidin-4-yl)pyrimidin-2-amine
CID 112683417
4-methoxy-N-(3-methoxycyclopentyl)pyrimidin-2-amine
CID 103082114
N-(4-methoxypyrimidin-2-yl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 112695271
N-(1,2-dimethylpiperidin-4-yl)-4,6-dimethoxy-1,3,5-triazin-2-amine
CID 79034210
4-N-(1,2-dimethylpiperidin-4-yl)-6-methoxypyrimidine-2,4-diamine
CID 114053208
N-[(2-methoxy-4-pyridinyl)methyl]-1,2-dimethylpiperidin-4-amine
CID 81297222
N-[1-(2-cyclopropylpyrimidin-4-yl)pyrrolidin-3-yl]-4-methoxypyrimidin-2-amine
CID 171995695
N-(2,3-dimethylcyclopentyl)-4-methoxypyrimidin-2-amine
CID 112637950
4-methoxy-N-[(2S,4R)-2-phenyloxan-4-yl]pyrimidin-2-amine
CID 124595523
4-methoxy-N-(2-methyloxolan-3-yl)pyrimidin-2-amine
CID 112547989
4-methoxy-N-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]pyrimidin-2-amine
CID 171995555

Frequently Asked Questions

What is the IUPAC name of N-(1,2-dimethylpiperidin-4-yl)-4-methoxypyrimidin-2-amine?
The IUPAC name of N-(1,2-dimethylpiperidin-4-yl)-4-methoxypyrimidin-2-amine (CID 112695266) is N-(1,2-dimethylpiperidin-4-yl)-4-methoxypyrimidin-2-amine.
What is the SMILES notation for N-(1,2-dimethylpiperidin-4-yl)-4-methoxypyrimidin-2-amine?
The canonical SMILES for N-(1,2-dimethylpiperidin-4-yl)-4-methoxypyrimidin-2-amine is COc1ccnc(NC2CCN(C)C(C)C2)n1.
What is the InChIKey of N-(1,2-dimethylpiperidin-4-yl)-4-methoxypyrimidin-2-amine?
The InChIKey is YVXCNVSCXXAJAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-9-8-10(5-7-16(9)2)14-12-13-6-4-11(15-12)17-3/h4,6,9-10H,5,7-8H2,1-3H3,(H,13,14,15).
What are the key properties of N-(1,2-dimethylpiperidin-4-yl)-4-methoxypyrimidin-2-amine?
N-(1,2-dimethylpiperidin-4-yl)-4-methoxypyrimidin-2-amine has a molecular weight of 236.32 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-dimethylpiperidin-4-yl)-4-methoxypyrimidin-2-amine is sourced from PubChem (CID 112695266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).