4-N,4-dipropyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-diamine

C13H24N4 — CID 154188420

IUPAC4-N,4-dipropyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-diamine
SMILESCCCNC1(CCC)N=C(N)NC2=C1CCC2
InChIInChI=1S/C13H24N4/c1-3-8-13(15-9-4-2)10-6-5-7-11(10)16-12(14)17-13/h15H,3-9H2,1-2H3,(H3,14,16,17)
InChIKeyWIFCVIGWXMFOQY-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.84
Rot. Bonds5

About 4-N,4-dipropyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-diamine

4-N,4-dipropyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-diamine (PubChem CID 154188420) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 4-N,4-dipropyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N,4-dipropyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-diamine
PubChem CID154188420
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name4-N,4-dipropyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-diamine
SMILESCCCNC1(CCC)N=C(N)NC2=C1CCC2
InChIInChI=1S/C13H24N4/c1-3-8-13(15-9-4-2)10-6-5-7-11(10)16-12(14)17-13/h15H,3-9H2,1-2H3,(H3,14,16,17)
InChIKeyWIFCVIGWXMFOQY-UHFFFAOYSA-N
XLogP1.84
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N,4-dipropyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N,4-dipropyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-diamine (CID 154188420) is 4-N,4-dipropyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N,4-dipropyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N,4-dipropyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-diamine is CCCNC1(CCC)N=C(N)NC2=C1CCC2.
What is the InChIKey of 4-N,4-dipropyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-diamine?
The InChIKey is WIFCVIGWXMFOQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-3-8-13(15-9-4-2)10-6-5-7-11(10)16-12(14)17-13/h15H,3-9H2,1-2H3,(H3,14,16,17).
What are the key properties of 4-N,4-dipropyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-diamine?
4-N,4-dipropyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-diamine has a molecular weight of 236.36 g/mol, XLogP of 1.84, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-dipropyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-diamine is sourced from PubChem (CID 154188420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).