6-piperazin-1-yl-4-N-propan-2-ylpyrimidine-2,4-diamine

C11H20N6 — CID 91475339

IUPAC6-piperazin-1-yl-4-N-propan-2-ylpyrimidine-2,4-diamine
SMILESCC(C)Nc1cc(N2CCNCC2)nc(N)n1
InChIInChI=1S/C11H20N6/c1-8(2)14-9-7-10(16-11(12)15-9)17-5-3-13-4-6-17/h7-8,13H,3-6H2,1-2H3,(H3,12,14,15,16)
InChIKeyNEGUJWZYORXGSW-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.29
Rot. Bonds3

About 6-piperazin-1-yl-4-N-propan-2-ylpyrimidine-2,4-diamine

6-piperazin-1-yl-4-N-propan-2-ylpyrimidine-2,4-diamine (PubChem CID 91475339) has the molecular formula C11H20N6 and a molecular weight of 236.32 g/mol. Its IUPAC name is 6-piperazin-1-yl-4-N-propan-2-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-piperazin-1-yl-4-N-propan-2-ylpyrimidine-2,4-diamine
PubChem CID91475339
Molecular FormulaC11H20N6
Molecular Weight236.32 g/mol
Exact Mass236.17
IUPAC Name6-piperazin-1-yl-4-N-propan-2-ylpyrimidine-2,4-diamine
SMILESCC(C)Nc1cc(N2CCNCC2)nc(N)n1
InChIInChI=1S/C11H20N6/c1-8(2)14-9-7-10(16-11(12)15-9)17-5-3-13-4-6-17/h7-8,13H,3-6H2,1-2H3,(H3,12,14,15,16)
InChIKeyNEGUJWZYORXGSW-UHFFFAOYSA-N
XLogP0.29
TPSA79.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-(4-methylpiperazin-1-yl)-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 54585780
6-[(3aR,7aS)-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridin-5-yl]-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 67156354
6-(1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridin-5-yl)-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 58940612
6-piperazin-1-ylpyrimidine-2,4-diamine
CID 21363888
6-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 24746164
6-(2-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 50950741
4-N-(2-bicyclo[2.2.1]heptanyl)-6-piperazin-1-ylpyrimidine-2,4-diamine
CID 68543502
6-(4-methylpiperazin-1-yl)-4-N-piperidin-4-ylpyrimidine-2,4-diamine
CID 68551068
2-amino-6-piperazin-1-ylpyrimidine-4-carboxylic acid
CID 165494645
4-(4-methylphenyl)-6-piperazin-1-ylpyrimidin-2-amine
CID 141328072
6-(2,8-diazaspiro[4.5]decan-2-yl)-4-N-(2-methylpropyl)pyrimidine-2,4-diamine
CID 67157234
(2-hydrazinyl-6-piperazin-1-ylpyrimidin-4-yl)hydrazine
CID 23198073

Frequently Asked Questions

What is the IUPAC name of 6-piperazin-1-yl-4-N-propan-2-ylpyrimidine-2,4-diamine?
The IUPAC name of 6-piperazin-1-yl-4-N-propan-2-ylpyrimidine-2,4-diamine (CID 91475339) is 6-piperazin-1-yl-4-N-propan-2-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-piperazin-1-yl-4-N-propan-2-ylpyrimidine-2,4-diamine?
The canonical SMILES for 6-piperazin-1-yl-4-N-propan-2-ylpyrimidine-2,4-diamine is CC(C)Nc1cc(N2CCNCC2)nc(N)n1.
What is the InChIKey of 6-piperazin-1-yl-4-N-propan-2-ylpyrimidine-2,4-diamine?
The InChIKey is NEGUJWZYORXGSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N6/c1-8(2)14-9-7-10(16-11(12)15-9)17-5-3-13-4-6-17/h7-8,13H,3-6H2,1-2H3,(H3,12,14,15,16).
What are the key properties of 6-piperazin-1-yl-4-N-propan-2-ylpyrimidine-2,4-diamine?
6-piperazin-1-yl-4-N-propan-2-ylpyrimidine-2,4-diamine has a molecular weight of 236.32 g/mol, XLogP of 0.29, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-piperazin-1-yl-4-N-propan-2-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 91475339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).