4-chloro-N-(1H-imidazol-5-ylmethyl)-N-propan-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine

C14H18ClN5 — CID 59728148

IUPAC4-chloro-N-(1H-imidazol-5-ylmethyl)-N-propan-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine
SMILESCC(C)N(Cc1cnc[nH]1)c1nc(Cl)c2c(n1)CCC2
InChIInChI=1S/C14H18ClN5/c1-9(2)20(7-10-6-16-8-17-10)14-18-12-5-3-4-11(12)13(15)19-14/h6,8-9H,3-5,7H2,1-2H3,(H,16,17)
InChIKeyFAZZOWXLKFIONA-UHFFFAOYSA-N
MW291.79 g/mol
LogP2.76
Rot. Bonds4

About 4-chloro-N-(1H-imidazol-5-ylmethyl)-N-propan-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine

4-chloro-N-(1H-imidazol-5-ylmethyl)-N-propan-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine (PubChem CID 59728148) has the molecular formula C14H18ClN5 and a molecular weight of 291.79 g/mol. Its IUPAC name is 4-chloro-N-(1H-imidazol-5-ylmethyl)-N-propan-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-N-(1H-imidazol-5-ylmethyl)-N-propan-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine
PubChem CID59728148
Molecular FormulaC14H18ClN5
Molecular Weight291.79 g/mol
Exact Mass291.13
IUPAC Name4-chloro-N-(1H-imidazol-5-ylmethyl)-N-propan-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine
SMILESCC(C)N(Cc1cnc[nH]1)c1nc(Cl)c2c(n1)CCC2
InChIInChI=1S/C14H18ClN5/c1-9(2)20(7-10-6-16-8-17-10)14-18-12-5-3-4-11(12)13(15)19-14/h6,8-9H,3-5,7H2,1-2H3,(H,16,17)
InChIKeyFAZZOWXLKFIONA-UHFFFAOYSA-N
XLogP2.76
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.79
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1H-imidazol-5-ylmethyl)-N-propan-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine?
The IUPAC name of 4-chloro-N-(1H-imidazol-5-ylmethyl)-N-propan-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine (CID 59728148) is 4-chloro-N-(1H-imidazol-5-ylmethyl)-N-propan-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-N-(1H-imidazol-5-ylmethyl)-N-propan-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine?
The canonical SMILES for 4-chloro-N-(1H-imidazol-5-ylmethyl)-N-propan-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine is CC(C)N(Cc1cnc[nH]1)c1nc(Cl)c2c(n1)CCC2.
What is the InChIKey of 4-chloro-N-(1H-imidazol-5-ylmethyl)-N-propan-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine?
The InChIKey is FAZZOWXLKFIONA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN5/c1-9(2)20(7-10-6-16-8-17-10)14-18-12-5-3-4-11(12)13(15)19-14/h6,8-9H,3-5,7H2,1-2H3,(H,16,17).
What are the key properties of 4-chloro-N-(1H-imidazol-5-ylmethyl)-N-propan-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine?
4-chloro-N-(1H-imidazol-5-ylmethyl)-N-propan-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine has a molecular weight of 291.79 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(1H-imidazol-5-ylmethyl)-N-propan-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine is sourced from PubChem (CID 59728148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).