4-N-butan-2-yl-6-(4-methylpiperidin-1-yl)pyrimidine-4,5-diamine

C14H25N5 — CID 19140396

IUPAC4-N-butan-2-yl-6-(4-methylpiperidin-1-yl)pyrimidine-4,5-diamine
SMILESCCC(C)Nc1ncnc(N2CCC(C)CC2)c1N
InChIInChI=1S/C14H25N5/c1-4-11(3)18-13-12(15)14(17-9-16-13)19-7-5-10(2)6-8-19/h9-11H,4-8,15H2,1-3H3,(H,16,17,18)
InChIKeyOAUGFIDOOYDIOJ-UHFFFAOYSA-N
MW263.39 g/mol
LogP2.51
Rot. Bonds4

About 4-N-butan-2-yl-6-(4-methylpiperidin-1-yl)pyrimidine-4,5-diamine

4-N-butan-2-yl-6-(4-methylpiperidin-1-yl)pyrimidine-4,5-diamine (PubChem CID 19140396) has the molecular formula C14H25N5 and a molecular weight of 263.39 g/mol. Its IUPAC name is 4-N-butan-2-yl-6-(4-methylpiperidin-1-yl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-butan-2-yl-6-(4-methylpiperidin-1-yl)pyrimidine-4,5-diamine
PubChem CID19140396
Molecular FormulaC14H25N5
Molecular Weight263.39 g/mol
Exact Mass263.21
IUPAC Name4-N-butan-2-yl-6-(4-methylpiperidin-1-yl)pyrimidine-4,5-diamine
SMILESCCC(C)Nc1ncnc(N2CCC(C)CC2)c1N
InChIInChI=1S/C14H25N5/c1-4-11(3)18-13-12(15)14(17-9-16-13)19-7-5-10(2)6-8-19/h9-11H,4-8,15H2,1-3H3,(H,16,17,18)
InChIKeyOAUGFIDOOYDIOJ-UHFFFAOYSA-N
XLogP2.51
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.39
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-butan-2-yl-6-(4-methylpiperidin-1-yl)pyrimidine-4,5-diamine?
The IUPAC name of 4-N-butan-2-yl-6-(4-methylpiperidin-1-yl)pyrimidine-4,5-diamine (CID 19140396) is 4-N-butan-2-yl-6-(4-methylpiperidin-1-yl)pyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-butan-2-yl-6-(4-methylpiperidin-1-yl)pyrimidine-4,5-diamine?
The canonical SMILES for 4-N-butan-2-yl-6-(4-methylpiperidin-1-yl)pyrimidine-4,5-diamine is CCC(C)Nc1ncnc(N2CCC(C)CC2)c1N.
What is the InChIKey of 4-N-butan-2-yl-6-(4-methylpiperidin-1-yl)pyrimidine-4,5-diamine?
The InChIKey is OAUGFIDOOYDIOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5/c1-4-11(3)18-13-12(15)14(17-9-16-13)19-7-5-10(2)6-8-19/h9-11H,4-8,15H2,1-3H3,(H,16,17,18).
What are the key properties of 4-N-butan-2-yl-6-(4-methylpiperidin-1-yl)pyrimidine-4,5-diamine?
4-N-butan-2-yl-6-(4-methylpiperidin-1-yl)pyrimidine-4,5-diamine has a molecular weight of 263.39 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butan-2-yl-6-(4-methylpiperidin-1-yl)pyrimidine-4,5-diamine is sourced from PubChem (CID 19140396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).