4-pentan-3-yl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-diamine

C12H22N4 — CID 154226338

IUPAC4-pentan-3-yl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-diamine
SMILESCCC(CC)C1(N)N=C(N)NC2=C1CCC2
InChIInChI=1S/C12H22N4/c1-3-8(4-2)12(14)9-6-5-7-10(9)15-11(13)16-12/h8H,3-7,14H2,1-2H3,(H3,13,15,16)
InChIKeyZXTQWUZNVFYMPV-UHFFFAOYSA-N
MW222.34 g/mol
LogP1.43
Rot. Bonds3

About 4-pentan-3-yl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-diamine

4-pentan-3-yl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-diamine (PubChem CID 154226338) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 4-pentan-3-yl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-pentan-3-yl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-diamine
PubChem CID154226338
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name4-pentan-3-yl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-diamine
SMILESCCC(CC)C1(N)N=C(N)NC2=C1CCC2
InChIInChI=1S/C12H22N4/c1-3-8(4-2)12(14)9-6-5-7-10(9)15-11(13)16-12/h8H,3-7,14H2,1-2H3,(H3,13,15,16)
InChIKeyZXTQWUZNVFYMPV-UHFFFAOYSA-N
XLogP1.43
TPSA76.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

Netamine E
CID 16085295
4,4-dimethyl-3,4,5,6,7,8-hexahydro-2(1H)-quinazolinimine
CID 12265196
1',5',6',7'-Tetrahydrospiro[cyclopentan-1,4'-cyclopentapyrimidin]-2'(3' H)-imine
CID 12265200
(7R)-4,4,7-trimethyl-5,6,7,8-tetrahydro-1H-quinazolin-2-amine
CID 21793391
CID 135014316
CID 135014316
(7S)-4,4,7-trimethyl-5,6,7,8-tetrahydro-1H-quinazolin-2-amine
CID 341001
(1R,4R,9R,10S)-9-butyl-10-methyl-5,7-diazatricyclo[6.3.1.04,12]dodeca-5,8(12)-dien-6-amine
CID 10848112
4-Methyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-diamine
CID 154098405
4-cyclohexyl-5,6-dimethyl-1H-pyrimidine-2,4-diamine
CID 154187063
4-methyl-5,6,7,8-tetrahydro-1H-quinazoline-2,4-diamine
CID 154271660
4-N,4-dimethyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-diamine
CID 154327448
4,4,7-trimethyl-5,6,7,8-tetrahydro-1H-quinazolin-2-amine
CID 3405601

Frequently Asked Questions

What is the IUPAC name of 4-pentan-3-yl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-diamine?
The IUPAC name of 4-pentan-3-yl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-diamine (CID 154226338) is 4-pentan-3-yl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-pentan-3-yl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-pentan-3-yl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-diamine is CCC(CC)C1(N)N=C(N)NC2=C1CCC2.
What is the InChIKey of 4-pentan-3-yl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-diamine?
The InChIKey is ZXTQWUZNVFYMPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-3-8(4-2)12(14)9-6-5-7-10(9)15-11(13)16-12/h8H,3-7,14H2,1-2H3,(H3,13,15,16).
What are the key properties of 4-pentan-3-yl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-diamine?
4-pentan-3-yl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-diamine has a molecular weight of 222.34 g/mol, XLogP of 1.43, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pentan-3-yl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-diamine is sourced from PubChem (CID 154226338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).