4-N-cyclopropyl-7-methyl-7H-cyclopenta[d]pyrimidine-2,4-diamine

C11H14N4 — CID 58952946

IUPAC4-N-cyclopropyl-7-methyl-7H-cyclopenta[d]pyrimidine-2,4-diamine
SMILESCC1C=Cc2c(NC3CC3)nc(N)nc21
InChIInChI=1S/C11H14N4/c1-6-2-5-8-9(6)14-11(12)15-10(8)13-7-3-4-7/h2,5-7H,3-4H2,1H3,(H3,12,13,14,15)
InChIKeyXKHWKJVKVNILRC-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.76
Rot. Bonds2

About 4-N-cyclopropyl-7-methyl-7H-cyclopenta[d]pyrimidine-2,4-diamine

4-N-cyclopropyl-7-methyl-7H-cyclopenta[d]pyrimidine-2,4-diamine (PubChem CID 58952946) has the molecular formula C11H14N4 and a molecular weight of 202.26 g/mol. Its IUPAC name is 4-N-cyclopropyl-7-methyl-7H-cyclopenta[d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-cyclopropyl-7-methyl-7H-cyclopenta[d]pyrimidine-2,4-diamine
PubChem CID58952946
Molecular FormulaC11H14N4
Molecular Weight202.26 g/mol
Exact Mass202.12
IUPAC Name4-N-cyclopropyl-7-methyl-7H-cyclopenta[d]pyrimidine-2,4-diamine
SMILESCC1C=Cc2c(NC3CC3)nc(N)nc21
InChIInChI=1S/C11H14N4/c1-6-2-5-8-9(6)14-11(12)15-10(8)13-7-3-4-7/h2,5-7H,3-4H2,1H3,(H3,12,13,14,15)
InChIKeyXKHWKJVKVNILRC-UHFFFAOYSA-N
XLogP1.76
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopropyl-7-methyl-7H-cyclopenta[d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-cyclopropyl-7-methyl-7H-cyclopenta[d]pyrimidine-2,4-diamine (CID 58952946) is 4-N-cyclopropyl-7-methyl-7H-cyclopenta[d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-cyclopropyl-7-methyl-7H-cyclopenta[d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-cyclopropyl-7-methyl-7H-cyclopenta[d]pyrimidine-2,4-diamine is CC1C=Cc2c(NC3CC3)nc(N)nc21.
What is the InChIKey of 4-N-cyclopropyl-7-methyl-7H-cyclopenta[d]pyrimidine-2,4-diamine?
The InChIKey is XKHWKJVKVNILRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4/c1-6-2-5-8-9(6)14-11(12)15-10(8)13-7-3-4-7/h2,5-7H,3-4H2,1H3,(H3,12,13,14,15).
What are the key properties of 4-N-cyclopropyl-7-methyl-7H-cyclopenta[d]pyrimidine-2,4-diamine?
4-N-cyclopropyl-7-methyl-7H-cyclopenta[d]pyrimidine-2,4-diamine has a molecular weight of 202.26 g/mol, XLogP of 1.76, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopropyl-7-methyl-7H-cyclopenta[d]pyrimidine-2,4-diamine is sourced from PubChem (CID 58952946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).