6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-N-propylpyrimidine-2,4-diamine

C14H23N5 — CID 115563060

IUPAC6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1cc(N2CC3CCCC3C2)nc(N)n1
InChIInChI=1S/C14H23N5/c1-2-6-16-12-7-13(18-14(15)17-12)19-8-10-4-3-5-11(10)9-19/h7,10-11H,2-6,8-9H2,1H3,(H3,15,16,17,18)
InChIKeyBAGBFISFNMVRHG-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.12
Rot. Bonds4

About 6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-N-propylpyrimidine-2,4-diamine

6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-N-propylpyrimidine-2,4-diamine (PubChem CID 115563060) has the molecular formula C14H23N5 and a molecular weight of 261.37 g/mol. Its IUPAC name is 6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-N-propylpyrimidine-2,4-diamine
PubChem CID115563060
Molecular FormulaC14H23N5
Molecular Weight261.37 g/mol
Exact Mass261.20
IUPAC Name6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1cc(N2CC3CCCC3C2)nc(N)n1
InChIInChI=1S/C14H23N5/c1-2-6-16-12-7-13(18-14(15)17-12)19-8-10-4-3-5-11(10)9-19/h7,10-11H,2-6,8-9H2,1H3,(H3,15,16,17,18)
InChIKeyBAGBFISFNMVRHG-UHFFFAOYSA-N
XLogP2.12
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-N-propylpyrimidine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(3-aminoazetidin-1-yl)-4-N-propylpyrimidine-2,4-diamine
CID 67157216
4-N-butyl-6-[3-(methylamino)azetidin-1-yl]pyrimidine-2,4-diamine
CID 24745833
6-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-4-N-ethylpyrimidine-2,4-diamine
CID 91210228
6-(4-ethylpiperazin-1-yl)-4-N-propylpyrimidine-2,4-diamine
CID 80762545
6-(4-ethyl-3-methylpiperazin-1-yl)-4-N-propylpyrimidine-2,4-diamine
CID 80834201
4-N-propyl-6-(1,4-thiazepan-4-yl)pyrimidine-2,4-diamine
CID 80796760
6-[(3aR,6aS)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-4-N-(cyclopropylmethyl)pyrimidine-2,4-diamine
CID 91427725
1-[2-amino-6-(butylamino)pyrimidin-4-yl]pyrrolidine-3-carboxylic acid
CID 122048402
8-[2-amino-6-(propylamino)pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol
CID 80845815
4-[2-amino-6-(propylamino)pyrimidin-4-yl]-1,4-diazepan-2-one
CID 80843065
6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-methyl-N-propylpyrimidin-4-amine
CID 80843361
4-N-cyclohexyl-6-N-propylpyrimidine-2,4,6-triamine
CID 80765080

Frequently Asked Questions

What is the IUPAC name of 6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-N-propylpyrimidine-2,4-diamine (CID 115563060) is 6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-N-propylpyrimidine-2,4-diamine is CCCNc1cc(N2CC3CCCC3C2)nc(N)n1.
What is the InChIKey of 6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-N-propylpyrimidine-2,4-diamine?
The InChIKey is BAGBFISFNMVRHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5/c1-2-6-16-12-7-13(18-14(15)17-12)19-8-10-4-3-5-11(10)9-19/h7,10-11H,2-6,8-9H2,1H3,(H3,15,16,17,18).
What are the key properties of 6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-N-propylpyrimidine-2,4-diamine?
6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-N-propylpyrimidine-2,4-diamine has a molecular weight of 261.37 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 115563060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).