5-(3-methylbutyl)-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine

C14H26N6 — CID 67156312

IUPAC5-(3-methylbutyl)-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine
SMILESCC(C)CCc1c(N)nc(N)nc1N1CCN(C)CC1
InChIInChI=1S/C14H26N6/c1-10(2)4-5-11-12(15)17-14(16)18-13(11)20-8-6-19(3)7-9-20/h10H,4-9H2,1-3H3,(H4,15,16,17,18)
InChIKeyFDPWCHFUKYYZNO-UHFFFAOYSA-N
MW278.40 g/mol
LogP0.98
Rot. Bonds4

About 5-(3-methylbutyl)-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine

5-(3-methylbutyl)-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine (PubChem CID 67156312) has the molecular formula C14H26N6 and a molecular weight of 278.40 g/mol. Its IUPAC name is 5-(3-methylbutyl)-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-(3-methylbutyl)-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine
PubChem CID67156312
Molecular FormulaC14H26N6
Molecular Weight278.40 g/mol
Exact Mass278.22
IUPAC Name5-(3-methylbutyl)-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine
SMILESCC(C)CCc1c(N)nc(N)nc1N1CCN(C)CC1
InChIInChI=1S/C14H26N6/c1-10(2)4-5-11-12(15)17-14(16)18-13(11)20-8-6-19(3)7-9-20/h10H,4-9H2,1-3H3,(H4,15,16,17,18)
InChIKeyFDPWCHFUKYYZNO-UHFFFAOYSA-N
XLogP0.98
TPSA84.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methylbutyl)-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine?
The IUPAC name of 5-(3-methylbutyl)-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine (CID 67156312) is 5-(3-methylbutyl)-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-(3-methylbutyl)-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-(3-methylbutyl)-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine is CC(C)CCc1c(N)nc(N)nc1N1CCN(C)CC1.
What is the InChIKey of 5-(3-methylbutyl)-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine?
The InChIKey is FDPWCHFUKYYZNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N6/c1-10(2)4-5-11-12(15)17-14(16)18-13(11)20-8-6-19(3)7-9-20/h10H,4-9H2,1-3H3,(H4,15,16,17,18).
What are the key properties of 5-(3-methylbutyl)-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine?
5-(3-methylbutyl)-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine has a molecular weight of 278.40 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylbutyl)-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 67156312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).