6-(4-butan-2-ylpiperazin-1-yl)pyrimidine-2,4-diamine

C12H22N6 — CID 80824437

IUPAC6-(4-butan-2-ylpiperazin-1-yl)pyrimidine-2,4-diamine
SMILESCCC(C)N1CCN(c2cc(N)nc(N)n2)CC1
InChIInChI=1S/C12H22N6/c1-3-9(2)17-4-6-18(7-5-17)11-8-10(13)15-12(14)16-11/h8-9H,3-7H2,1-2H3,(H4,13,14,15,16)
InChIKeyPEDUJMLJMKDDHG-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.56
Rot. Bonds3

About 6-(4-butan-2-ylpiperazin-1-yl)pyrimidine-2,4-diamine

6-(4-butan-2-ylpiperazin-1-yl)pyrimidine-2,4-diamine (PubChem CID 80824437) has the molecular formula C12H22N6 and a molecular weight of 250.35 g/mol. Its IUPAC name is 6-(4-butan-2-ylpiperazin-1-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(4-butan-2-ylpiperazin-1-yl)pyrimidine-2,4-diamine
PubChem CID80824437
Molecular FormulaC12H22N6
Molecular Weight250.35 g/mol
Exact Mass250.19
IUPAC Name6-(4-butan-2-ylpiperazin-1-yl)pyrimidine-2,4-diamine
SMILESCCC(C)N1CCN(c2cc(N)nc(N)n2)CC1
InChIInChI=1S/C12H22N6/c1-3-9(2)17-4-6-18(7-5-17)11-8-10(13)15-12(14)16-11/h8-9H,3-7H2,1-2H3,(H4,13,14,15,16)
InChIKeyPEDUJMLJMKDDHG-UHFFFAOYSA-N
XLogP0.56
TPSA84.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-butan-2-ylpiperazin-1-yl)-6-methylpyrimidin-2-amine
CID 80832150
6-(4-butan-2-ylpiperazin-1-yl)-4-methylpyridin-3-amine
CID 79176414
6-(4-methylsulfonylpiperazin-1-yl)pyrimidine-2,4-diamine
CID 78982341
6-(4-butan-2-ylpiperazin-1-yl)-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80825190
2-(4-butan-2-ylpiperazin-1-yl)-6-methylpyridine-4-carbonitrile
CID 114766208
6-piperazin-1-ylpyrimidine-2,4-diamine
CID 21363888
6-(4-butan-2-ylpiperazin-1-yl)-N,2-diethylpyrimidin-4-amine
CID 80940626
6-[4-(dimethylamino)piperidin-1-yl]pyrimidine-2,4-diamine
CID 80792622
[6-(4-butan-2-ylpiperazin-1-yl)-2-pyridinyl]hydrazine
CID 80918994
4-(4-butan-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidin-2-amine
CID 103327357
6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-2,4-diamine
CID 78910390
4-(4-butan-2-ylpiperazin-1-yl)-6-(1,1,2,2,2-pentafluoroethyl)-1,3,5-triazin-2-amine
CID 146106372

Frequently Asked Questions

What is the IUPAC name of 6-(4-butan-2-ylpiperazin-1-yl)pyrimidine-2,4-diamine?
The IUPAC name of 6-(4-butan-2-ylpiperazin-1-yl)pyrimidine-2,4-diamine (CID 80824437) is 6-(4-butan-2-ylpiperazin-1-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-(4-butan-2-ylpiperazin-1-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-(4-butan-2-ylpiperazin-1-yl)pyrimidine-2,4-diamine is CCC(C)N1CCN(c2cc(N)nc(N)n2)CC1.
What is the InChIKey of 6-(4-butan-2-ylpiperazin-1-yl)pyrimidine-2,4-diamine?
The InChIKey is PEDUJMLJMKDDHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N6/c1-3-9(2)17-4-6-18(7-5-17)11-8-10(13)15-12(14)16-11/h8-9H,3-7H2,1-2H3,(H4,13,14,15,16).
What are the key properties of 6-(4-butan-2-ylpiperazin-1-yl)pyrimidine-2,4-diamine?
6-(4-butan-2-ylpiperazin-1-yl)pyrimidine-2,4-diamine has a molecular weight of 250.35 g/mol, XLogP of 0.56, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-butan-2-ylpiperazin-1-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80824437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).