4-(cyclopropylmethyl)-6-[(3S)-3-methylpiperazin-1-yl]-1H-pyrimidine-2,4-diamine

C13H24N6 — CID 152629963

IUPAC4-(cyclopropylmethyl)-6-[(3S)-3-methylpiperazin-1-yl]-1H-pyrimidine-2,4-diamine
SMILESC[C@H]1CN(C2=CC(N)(CC3CC3)N=C(N)N2)CCN1
InChIInChI=1S/C13H24N6/c1-9-8-19(5-4-16-9)11-7-13(15,6-10-2-3-10)18-12(14)17-11/h7,9-10,16H,2-6,8,15H2,1H3,(H3,14,17,18)/t9-,13?/m0/s1
InChIKeyZDHZEAXVBJMXCO-LLTODGECSA-N
MW264.38 g/mol
LogP-0.51
Rot. Bonds3

About 4-(cyclopropylmethyl)-6-[(3S)-3-methylpiperazin-1-yl]-1H-pyrimidine-2,4-diamine

4-(cyclopropylmethyl)-6-[(3S)-3-methylpiperazin-1-yl]-1H-pyrimidine-2,4-diamine (PubChem CID 152629963) has the molecular formula C13H24N6 and a molecular weight of 264.38 g/mol. Its IUPAC name is 4-(cyclopropylmethyl)-6-[(3S)-3-methylpiperazin-1-yl]-1H-pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-(cyclopropylmethyl)-6-[(3S)-3-methylpiperazin-1-yl]-1H-pyrimidine-2,4-diamine
PubChem CID152629963
Molecular FormulaC13H24N6
Molecular Weight264.38 g/mol
Exact Mass264.21
IUPAC Name4-(cyclopropylmethyl)-6-[(3S)-3-methylpiperazin-1-yl]-1H-pyrimidine-2,4-diamine
SMILESC[C@H]1CN(C2=CC(N)(CC3CC3)N=C(N)N2)CCN1
InChIInChI=1S/C13H24N6/c1-9-8-19(5-4-16-9)11-7-13(15,6-10-2-3-10)18-12(14)17-11/h7,9-10,16H,2-6,8,15H2,1H3,(H3,14,17,18)/t9-,13?/m0/s1
InChIKeyZDHZEAXVBJMXCO-LLTODGECSA-N
XLogP-0.51
TPSA91.70 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.38
LogP ≤ 5-0.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethyl)-6-[(3S)-3-methylpiperazin-1-yl]-1H-pyrimidine-2,4-diamine?
The IUPAC name of 4-(cyclopropylmethyl)-6-[(3S)-3-methylpiperazin-1-yl]-1H-pyrimidine-2,4-diamine (CID 152629963) is 4-(cyclopropylmethyl)-6-[(3S)-3-methylpiperazin-1-yl]-1H-pyrimidine-2,4-diamine.
What is the SMILES notation for 4-(cyclopropylmethyl)-6-[(3S)-3-methylpiperazin-1-yl]-1H-pyrimidine-2,4-diamine?
The canonical SMILES for 4-(cyclopropylmethyl)-6-[(3S)-3-methylpiperazin-1-yl]-1H-pyrimidine-2,4-diamine is C[C@H]1CN(C2=CC(N)(CC3CC3)N=C(N)N2)CCN1.
What is the InChIKey of 4-(cyclopropylmethyl)-6-[(3S)-3-methylpiperazin-1-yl]-1H-pyrimidine-2,4-diamine?
The InChIKey is ZDHZEAXVBJMXCO-LLTODGECSA-N. The full InChI is InChI=1S/C13H24N6/c1-9-8-19(5-4-16-9)11-7-13(15,6-10-2-3-10)18-12(14)17-11/h7,9-10,16H,2-6,8,15H2,1H3,(H3,14,17,18)/t9-,13?/m0/s1.
What are the key properties of 4-(cyclopropylmethyl)-6-[(3S)-3-methylpiperazin-1-yl]-1H-pyrimidine-2,4-diamine?
4-(cyclopropylmethyl)-6-[(3S)-3-methylpiperazin-1-yl]-1H-pyrimidine-2,4-diamine has a molecular weight of 264.38 g/mol, XLogP of -0.51, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethyl)-6-[(3S)-3-methylpiperazin-1-yl]-1H-pyrimidine-2,4-diamine is sourced from PubChem (CID 152629963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).