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

C13H22N6 — CID 66740386

IUPAC5-(cyclopropylmethyl)-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine
SMILESCN1CCN(c2nc(N)nc(N)c2CC2CC2)CC1
InChIInChI=1S/C13H22N6/c1-18-4-6-19(7-5-18)12-10(8-9-2-3-9)11(14)16-13(15)17-12/h9H,2-8H2,1H3,(H4,14,15,16,17)
InChIKeyHVGKNTLSVFUVDW-UHFFFAOYSA-N
MW262.36 g/mol
LogP0.35
Rot. Bonds3

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

5-(cyclopropylmethyl)-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine (PubChem CID 66740386) has the molecular formula C13H22N6 and a molecular weight of 262.36 g/mol. Its IUPAC name is 5-(cyclopropylmethyl)-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-(cyclopropylmethyl)-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine
PubChem CID66740386
Molecular FormulaC13H22N6
Molecular Weight262.36 g/mol
Exact Mass262.19
IUPAC Name5-(cyclopropylmethyl)-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine
SMILESCN1CCN(c2nc(N)nc(N)c2CC2CC2)CC1
InChIInChI=1S/C13H22N6/c1-18-4-6-19(7-5-18)12-10(8-9-2-3-9)11(14)16-13(15)17-12/h9H,2-8H2,1H3,(H4,14,15,16,17)
InChIKeyHVGKNTLSVFUVDW-UHFFFAOYSA-N
XLogP0.35
TPSA84.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylmethyl)-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine?
The IUPAC name of 5-(cyclopropylmethyl)-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine (CID 66740386) is 5-(cyclopropylmethyl)-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-(cyclopropylmethyl)-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-(cyclopropylmethyl)-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine is CN1CCN(c2nc(N)nc(N)c2CC2CC2)CC1.
What is the InChIKey of 5-(cyclopropylmethyl)-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine?
The InChIKey is HVGKNTLSVFUVDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6/c1-18-4-6-19(7-5-18)12-10(8-9-2-3-9)11(14)16-13(15)17-12/h9H,2-8H2,1H3,(H4,14,15,16,17).
What are the key properties of 5-(cyclopropylmethyl)-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine?
5-(cyclopropylmethyl)-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine has a molecular weight of 262.36 g/mol, XLogP of 0.35, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylmethyl)-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 66740386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).