N-(1,3-dimethylpiperidin-4-yl)-4-methyl-6-propan-2-yloxypyrimidin-2-amine

C15H26N4O — CID 114504765

IUPACN-(1,3-dimethylpiperidin-4-yl)-4-methyl-6-propan-2-yloxypyrimidin-2-amine
SMILESCc1cc(OC(C)C)nc(NC2CCN(C)CC2C)n1
InChIInChI=1S/C15H26N4O/c1-10(2)20-14-8-12(4)16-15(18-14)17-13-6-7-19(5)9-11(13)3/h8,10-11,13H,6-7,9H2,1-5H3,(H,16,17,18)
InChIKeyBVLYIFHKKPTFAK-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.32
Rot. Bonds4

About N-(1,3-dimethylpiperidin-4-yl)-4-methyl-6-propan-2-yloxypyrimidin-2-amine

N-(1,3-dimethylpiperidin-4-yl)-4-methyl-6-propan-2-yloxypyrimidin-2-amine (PubChem CID 114504765) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is N-(1,3-dimethylpiperidin-4-yl)-4-methyl-6-propan-2-yloxypyrimidin-2-amine.

Molecular Properties

Compound NameN-(1,3-dimethylpiperidin-4-yl)-4-methyl-6-propan-2-yloxypyrimidin-2-amine
PubChem CID114504765
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC NameN-(1,3-dimethylpiperidin-4-yl)-4-methyl-6-propan-2-yloxypyrimidin-2-amine
SMILESCc1cc(OC(C)C)nc(NC2CCN(C)CC2C)n1
InChIInChI=1S/C15H26N4O/c1-10(2)20-14-8-12(4)16-15(18-14)17-13-6-7-19(5)9-11(13)3/h8,10-11,13H,6-7,9H2,1-5H3,(H,16,17,18)
InChIKeyBVLYIFHKKPTFAK-UHFFFAOYSA-N
XLogP2.32
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-(2-methylcyclohexyl)-6-propan-2-yloxypyrimidin-2-amine
CID 112636524
2-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]cyclohexane-1-carboxylic acid
CID 115973097
1-N-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)cyclobutane-1,3-diamine
CID 112634753
N-[2-(aminomethyl)cyclopentyl]-4-methyl-6-propan-2-yloxypyrimidin-2-amine
CID 112635000
N-(cyclobutylmethyl)-4-methyl-6-propan-2-yloxypyrimidin-2-amine
CID 112636641
1,3-dimethyl-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]piperidin-4-amine
CID 114503274
4-methoxy-6-methyl-N-(2-methylcycloheptyl)pyrimidin-2-amine
CID 112638041
N-(2-cyclopentylethyl)-4-methyl-6-propan-2-yloxypyrimidin-2-amine
CID 112636873
N-(2,2-dimethyloxan-4-yl)-4-methyl-6-propan-2-yloxypyrimidin-2-amine
CID 115975318
4-N-(1,3-dimethylpiperidin-4-yl)-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 114506573
4-methyl-N-(2-piperidin-1-ylethyl)-6-propan-2-yloxypyrimidin-2-amine
CID 115974823
2-(4-chloro-3-methylpiperidin-1-yl)-4-methyl-6-propan-2-yloxypyrimidine
CID 114682612

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethylpiperidin-4-yl)-4-methyl-6-propan-2-yloxypyrimidin-2-amine?
The IUPAC name of N-(1,3-dimethylpiperidin-4-yl)-4-methyl-6-propan-2-yloxypyrimidin-2-amine (CID 114504765) is N-(1,3-dimethylpiperidin-4-yl)-4-methyl-6-propan-2-yloxypyrimidin-2-amine.
What is the SMILES notation for N-(1,3-dimethylpiperidin-4-yl)-4-methyl-6-propan-2-yloxypyrimidin-2-amine?
The canonical SMILES for N-(1,3-dimethylpiperidin-4-yl)-4-methyl-6-propan-2-yloxypyrimidin-2-amine is Cc1cc(OC(C)C)nc(NC2CCN(C)CC2C)n1.
What is the InChIKey of N-(1,3-dimethylpiperidin-4-yl)-4-methyl-6-propan-2-yloxypyrimidin-2-amine?
The InChIKey is BVLYIFHKKPTFAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-10(2)20-14-8-12(4)16-15(18-14)17-13-6-7-19(5)9-11(13)3/h8,10-11,13H,6-7,9H2,1-5H3,(H,16,17,18).
What are the key properties of N-(1,3-dimethylpiperidin-4-yl)-4-methyl-6-propan-2-yloxypyrimidin-2-amine?
N-(1,3-dimethylpiperidin-4-yl)-4-methyl-6-propan-2-yloxypyrimidin-2-amine has a molecular weight of 278.40 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethylpiperidin-4-yl)-4-methyl-6-propan-2-yloxypyrimidin-2-amine is sourced from PubChem (CID 114504765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).