4-(3-methylbutyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine

C14H25N5 — CID 71551636

IUPAC4-(3-methylbutyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
SMILESCC(C)CCc1cc(N2CCN(C)CC2)nc(N)n1
InChIInChI=1S/C14H25N5/c1-11(2)4-5-12-10-13(17-14(15)16-12)19-8-6-18(3)7-9-19/h10-11H,4-9H2,1-3H3,(H2,15,16,17)
InChIKeyKCKSKEKLNIYIQY-UHFFFAOYSA-N
MW263.39 g/mol
LogP1.40
Rot. Bonds4

About 4-(3-methylbutyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine

4-(3-methylbutyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine (PubChem CID 71551636) has the molecular formula C14H25N5 and a molecular weight of 263.39 g/mol. Its IUPAC name is 4-(3-methylbutyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(3-methylbutyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
PubChem CID71551636
Molecular FormulaC14H25N5
Molecular Weight263.39 g/mol
Exact Mass263.21
IUPAC Name4-(3-methylbutyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
SMILESCC(C)CCc1cc(N2CCN(C)CC2)nc(N)n1
InChIInChI=1S/C14H25N5/c1-11(2)4-5-12-10-13(17-14(15)16-12)19-8-6-18(3)7-9-19/h10-11H,4-9H2,1-3H3,(H2,15,16,17)
InChIKeyKCKSKEKLNIYIQY-UHFFFAOYSA-N
XLogP1.40
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.39
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methylbutyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine?
The IUPAC name of 4-(3-methylbutyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine (CID 71551636) is 4-(3-methylbutyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-(3-methylbutyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine?
The canonical SMILES for 4-(3-methylbutyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine is CC(C)CCc1cc(N2CCN(C)CC2)nc(N)n1.
What is the InChIKey of 4-(3-methylbutyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine?
The InChIKey is KCKSKEKLNIYIQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5/c1-11(2)4-5-12-10-13(17-14(15)16-12)19-8-6-18(3)7-9-19/h10-11H,4-9H2,1-3H3,(H2,15,16,17).
What are the key properties of 4-(3-methylbutyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine?
4-(3-methylbutyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine has a molecular weight of 263.39 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylbutyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 71551636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).