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

C13H24N6 — CID 152629962

IUPAC4-(cyclopropylmethyl)-6-[(3R)-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?/m1/s1
InChIKeyZDHZEAXVBJMXCO-CGCSKFHYSA-N
MW264.38 g/mol
LogP-0.51
Rot. Bonds3

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

4-(cyclopropylmethyl)-6-[(3R)-3-methylpiperazin-1-yl]-1H-pyrimidine-2,4-diamine (PubChem CID 152629962) has the molecular formula C13H24N6 and a molecular weight of 264.38 g/mol. Its IUPAC name is 4-(cyclopropylmethyl)-6-[(3R)-3-methylpiperazin-1-yl]-1H-pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-(cyclopropylmethyl)-6-[(3R)-3-methylpiperazin-1-yl]-1H-pyrimidine-2,4-diamine
PubChem CID152629962
Molecular FormulaC13H24N6
Molecular Weight264.38 g/mol
Exact Mass264.21
IUPAC Name4-(cyclopropylmethyl)-6-[(3R)-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?/m1/s1
InChIKeyZDHZEAXVBJMXCO-CGCSKFHYSA-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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Related Compounds

4-(cyclopropylmethyl)-6-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-1H-pyrimidine-2,4-diamine
CID 154228565
6-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-4-(2,2-dimethylpropyl)-1H-pyrimidine-2,4-diamine
CID 150390182
4-(cyclopropylmethyl)-6-[(3S)-3-methylpiperazin-1-yl]pyrimidin-2-amine
CID 42623653
4-[(1-methylpiperidin-3-yl)methyl]-1H-pyrimidine-2,4-diamine
CID 154344821
4-cyclopropyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-1H-pyrimidine-2,4-diamine
CID 152545011
4-(3-methylpiperazin-1-yl)aniline
CID 23287543
5-[(3R)-3-methylpiperazin-1-yl]pyridin-2-amine
CID 141318309
4-ethyl-2-[(3S)-3-methylpiperazin-1-yl]-1,3-thiazole
CID 94905443
2-methyl-6-(3-methylpiperazin-1-yl)pyridin-3-amine
CID 174591427
5-methyl-2-[(3S)-3-methylpiperazin-1-yl]pyrimidine
CID 104977378
1-[(3S)-3-methylpiperazin-1-yl]isoquinoline
CID 104977385
4-chloro-2-[(3R)-3-methylpiperazin-1-yl]aniline
CID 21034047

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethyl)-6-[(3R)-3-methylpiperazin-1-yl]-1H-pyrimidine-2,4-diamine?
The IUPAC name of 4-(cyclopropylmethyl)-6-[(3R)-3-methylpiperazin-1-yl]-1H-pyrimidine-2,4-diamine (CID 152629962) is 4-(cyclopropylmethyl)-6-[(3R)-3-methylpiperazin-1-yl]-1H-pyrimidine-2,4-diamine.
What is the SMILES notation for 4-(cyclopropylmethyl)-6-[(3R)-3-methylpiperazin-1-yl]-1H-pyrimidine-2,4-diamine?
The canonical SMILES for 4-(cyclopropylmethyl)-6-[(3R)-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-[(3R)-3-methylpiperazin-1-yl]-1H-pyrimidine-2,4-diamine?
The InChIKey is ZDHZEAXVBJMXCO-CGCSKFHYSA-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?/m1/s1.
What are the key properties of 4-(cyclopropylmethyl)-6-[(3R)-3-methylpiperazin-1-yl]-1H-pyrimidine-2,4-diamine?
4-(cyclopropylmethyl)-6-[(3R)-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-[(3R)-3-methylpiperazin-1-yl]-1H-pyrimidine-2,4-diamine is sourced from PubChem (CID 152629962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).