2-N,2-N,4-N-trimethyl-4-N-(1-propan-2-ylpiperidin-4-yl)pyrimidine-2,4-diamine

C15H27N5 — CID 75421951

IUPAC2-N,2-N,4-N-trimethyl-4-N-(1-propan-2-ylpiperidin-4-yl)pyrimidine-2,4-diamine
SMILESCC(C)N1CCC(N(C)c2ccnc(N(C)C)n2)CC1
InChIInChI=1S/C15H27N5/c1-12(2)20-10-7-13(8-11-20)19(5)14-6-9-16-15(17-14)18(3)4/h6,9,12-13H,7-8,10-11H2,1-5H3
InChIKeyFAIOAXIZMZKMEK-UHFFFAOYSA-N
MW277.42 g/mol
LogP1.85
Rot. Bonds4

About 2-N,2-N,4-N-trimethyl-4-N-(1-propan-2-ylpiperidin-4-yl)pyrimidine-2,4-diamine

2-N,2-N,4-N-trimethyl-4-N-(1-propan-2-ylpiperidin-4-yl)pyrimidine-2,4-diamine (PubChem CID 75421951) has the molecular formula C15H27N5 and a molecular weight of 277.42 g/mol. Its IUPAC name is 2-N,2-N,4-N-trimethyl-4-N-(1-propan-2-ylpiperidin-4-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N,4-N-trimethyl-4-N-(1-propan-2-ylpiperidin-4-yl)pyrimidine-2,4-diamine
PubChem CID75421951
Molecular FormulaC15H27N5
Molecular Weight277.42 g/mol
Exact Mass277.23
IUPAC Name2-N,2-N,4-N-trimethyl-4-N-(1-propan-2-ylpiperidin-4-yl)pyrimidine-2,4-diamine
SMILESCC(C)N1CCC(N(C)c2ccnc(N(C)C)n2)CC1
InChIInChI=1S/C15H27N5/c1-12(2)20-10-7-13(8-11-20)19(5)14-6-9-16-15(17-14)18(3)4/h6,9,12-13H,7-8,10-11H2,1-5H3
InChIKeyFAIOAXIZMZKMEK-UHFFFAOYSA-N
XLogP1.85
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.42
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 58227127
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CID 58227143
CID 58227143
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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,4-N-trimethyl-4-N-(1-propan-2-ylpiperidin-4-yl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N,2-N,4-N-trimethyl-4-N-(1-propan-2-ylpiperidin-4-yl)pyrimidine-2,4-diamine (CID 75421951) is 2-N,2-N,4-N-trimethyl-4-N-(1-propan-2-ylpiperidin-4-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,2-N,4-N-trimethyl-4-N-(1-propan-2-ylpiperidin-4-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N,2-N,4-N-trimethyl-4-N-(1-propan-2-ylpiperidin-4-yl)pyrimidine-2,4-diamine is CC(C)N1CCC(N(C)c2ccnc(N(C)C)n2)CC1.
What is the InChIKey of 2-N,2-N,4-N-trimethyl-4-N-(1-propan-2-ylpiperidin-4-yl)pyrimidine-2,4-diamine?
The InChIKey is FAIOAXIZMZKMEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5/c1-12(2)20-10-7-13(8-11-20)19(5)14-6-9-16-15(17-14)18(3)4/h6,9,12-13H,7-8,10-11H2,1-5H3.
What are the key properties of 2-N,2-N,4-N-trimethyl-4-N-(1-propan-2-ylpiperidin-4-yl)pyrimidine-2,4-diamine?
2-N,2-N,4-N-trimethyl-4-N-(1-propan-2-ylpiperidin-4-yl)pyrimidine-2,4-diamine has a molecular weight of 277.42 g/mol, XLogP of 1.85, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,4-N-trimethyl-4-N-(1-propan-2-ylpiperidin-4-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 75421951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).