4-methoxy-N-(piperidin-3-ylmethyl)-N-propan-2-ylpyrimidin-2-amine

C14H24N4O — CID 106643074

IUPAC4-methoxy-N-(piperidin-3-ylmethyl)-N-propan-2-ylpyrimidin-2-amine
SMILESCOc1ccnc(N(CC2CCCNC2)C(C)C)n1
InChIInChI=1S/C14H24N4O/c1-11(2)18(10-12-5-4-7-15-9-12)14-16-8-6-13(17-14)19-3/h6,8,11-12,15H,4-5,7,9-10H2,1-3H3
InChIKeyYGKJJJPWCWPTTC-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.70
Rot. Bonds5

About 4-methoxy-N-(piperidin-3-ylmethyl)-N-propan-2-ylpyrimidin-2-amine

4-methoxy-N-(piperidin-3-ylmethyl)-N-propan-2-ylpyrimidin-2-amine (PubChem CID 106643074) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 4-methoxy-N-(piperidin-3-ylmethyl)-N-propan-2-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-methoxy-N-(piperidin-3-ylmethyl)-N-propan-2-ylpyrimidin-2-amine
PubChem CID106643074
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name4-methoxy-N-(piperidin-3-ylmethyl)-N-propan-2-ylpyrimidin-2-amine
SMILESCOc1ccnc(N(CC2CCCNC2)C(C)C)n1
InChIInChI=1S/C14H24N4O/c1-11(2)18(10-12-5-4-7-15-9-12)14-16-8-6-13(17-14)19-3/h6,8,11-12,15H,4-5,7,9-10H2,1-3H3
InChIKeyYGKJJJPWCWPTTC-UHFFFAOYSA-N
XLogP1.70
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethoxy-N-(piperidin-3-ylmethyl)-N-propan-2-ylpyrimidin-2-amine
CID 106643233
N-(piperidin-3-ylmethyl)-N-propan-2-ylpyrazin-2-amine
CID 106643250
6-methyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylpyridin-2-amine
CID 106643185
5-fluoro-N-(piperidin-3-ylmethyl)-N-propan-2-ylpyridin-2-amine
CID 106642977
6-methyl-N-(piperidin-3-ylmethyl)-N,2-di(propan-2-yl)pyrimidin-4-amine
CID 106643134
2-methoxy-N-(piperidin-3-ylmethyl)-N-propylpyridin-4-amine
CID 106643981
N-(cyclohexylmethyl)-4-methoxy-N-methylpyrimidin-2-amine
CID 112813486
2-nitro-N-(piperidin-3-ylmethyl)-N-propan-2-ylpyridin-3-amine
CID 106643092
3-nitro-N-(piperidin-3-ylmethyl)-N-propan-2-ylpyridin-2-amine
CID 106643160
5-nitro-N-(piperidin-3-ylmethyl)-N-propan-2-yl-1,3-thiazol-2-amine
CID 106643102
4,6-dimethoxy-N-methyl-N-(piperidin-3-ylmethyl)-1,3,5-triazin-2-amine
CID 106642807
N-[(3-methoxypyrazin-2-yl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
CID 71642921

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(piperidin-3-ylmethyl)-N-propan-2-ylpyrimidin-2-amine?
The IUPAC name of 4-methoxy-N-(piperidin-3-ylmethyl)-N-propan-2-ylpyrimidin-2-amine (CID 106643074) is 4-methoxy-N-(piperidin-3-ylmethyl)-N-propan-2-ylpyrimidin-2-amine.
What is the SMILES notation for 4-methoxy-N-(piperidin-3-ylmethyl)-N-propan-2-ylpyrimidin-2-amine?
The canonical SMILES for 4-methoxy-N-(piperidin-3-ylmethyl)-N-propan-2-ylpyrimidin-2-amine is COc1ccnc(N(CC2CCCNC2)C(C)C)n1.
What is the InChIKey of 4-methoxy-N-(piperidin-3-ylmethyl)-N-propan-2-ylpyrimidin-2-amine?
The InChIKey is YGKJJJPWCWPTTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-11(2)18(10-12-5-4-7-15-9-12)14-16-8-6-13(17-14)19-3/h6,8,11-12,15H,4-5,7,9-10H2,1-3H3.
What are the key properties of 4-methoxy-N-(piperidin-3-ylmethyl)-N-propan-2-ylpyrimidin-2-amine?
4-methoxy-N-(piperidin-3-ylmethyl)-N-propan-2-ylpyrimidin-2-amine has a molecular weight of 264.37 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(piperidin-3-ylmethyl)-N-propan-2-ylpyrimidin-2-amine is sourced from PubChem (CID 106643074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).