N,2-di(propan-2-yl)-5H-cyclopenta[d]pyrimidin-4-amine

C13H19N3 — CID 58222897

IUPACN,2-di(propan-2-yl)-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCC(C)Nc1nc(C(C)C)nc2c1CC=C2
InChIInChI=1S/C13H19N3/c1-8(2)12-15-11-7-5-6-10(11)13(16-12)14-9(3)4/h5,7-9H,6H2,1-4H3,(H,14,15,16)
InChIKeyADJGOVRQIRKHIW-UHFFFAOYSA-N
MW217.32 g/mol
LogP2.99
Rot. Bonds3

About N,2-di(propan-2-yl)-5H-cyclopenta[d]pyrimidin-4-amine

N,2-di(propan-2-yl)-5H-cyclopenta[d]pyrimidin-4-amine (PubChem CID 58222897) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is N,2-di(propan-2-yl)-5H-cyclopenta[d]pyrimidin-4-amine.

Molecular Properties

Compound NameN,2-di(propan-2-yl)-5H-cyclopenta[d]pyrimidin-4-amine
PubChem CID58222897
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC NameN,2-di(propan-2-yl)-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCC(C)Nc1nc(C(C)C)nc2c1CC=C2
InChIInChI=1S/C13H19N3/c1-8(2)12-15-11-7-5-6-10(11)13(16-12)14-9(3)4/h5,7-9H,6H2,1-4H3,(H,14,15,16)
InChIKeyADJGOVRQIRKHIW-UHFFFAOYSA-N
XLogP2.99
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-butyl-5-ethyl-6-methylpyrimidine-2,4-diamine
CID 135271011
5-fluoro-N-[4-(methylaminomethyl)cyclohexyl]-7H-cyclopenta[d]pyrimidin-4-amine
CID 149395907
2-chloro-N-cyclopropyl-5-(trifluoromethyl)-7H-cyclopenta[d]pyrimidin-4-amine
CID 161059148
2-chloro-N-ethyl-5-(trifluoromethyl)-7H-cyclopenta[d]pyrimidin-4-amine
CID 161593420
N-tert-butyl-2-(1,1-difluoroethyl)-6-methyl-5,6-dihydroquinazolin-4-amine
CID 169976897
2,6-Dimethyl-5-(prop-2-en-1-yl)pyrimidin-4-amine
CID 824913
N,2,6-trimethyl-5-prop-2-enylpyrimidin-4-amine
CID 13027164
2,4-Dimethyl-5,8-dihydro-pyrido[2,3-d]pyrimidine
CID 13027172
2,6-Dimethyl-5-(2-methylprop-1-enyl)pyrimidin-4-amine
CID 129916767
2-Cyclopropyl-5-[1-(cyclopropylamino)ethyl]-6-methylpyrimidin-4-amine
CID 163359024
Pyrimidine, 5-allenyl-4,6-dimethyl-2-methylamino-
CID 130705493
5H-cyclopenta[d]pyrimidin-4-amine
CID 58158388

Frequently Asked Questions

What is the IUPAC name of N,2-di(propan-2-yl)-5H-cyclopenta[d]pyrimidin-4-amine?
The IUPAC name of N,2-di(propan-2-yl)-5H-cyclopenta[d]pyrimidin-4-amine (CID 58222897) is N,2-di(propan-2-yl)-5H-cyclopenta[d]pyrimidin-4-amine.
What is the SMILES notation for N,2-di(propan-2-yl)-5H-cyclopenta[d]pyrimidin-4-amine?
The canonical SMILES for N,2-di(propan-2-yl)-5H-cyclopenta[d]pyrimidin-4-amine is CC(C)Nc1nc(C(C)C)nc2c1CC=C2.
What is the InChIKey of N,2-di(propan-2-yl)-5H-cyclopenta[d]pyrimidin-4-amine?
The InChIKey is ADJGOVRQIRKHIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-8(2)12-15-11-7-5-6-10(11)13(16-12)14-9(3)4/h5,7-9H,6H2,1-4H3,(H,14,15,16).
What are the key properties of N,2-di(propan-2-yl)-5H-cyclopenta[d]pyrimidin-4-amine?
N,2-di(propan-2-yl)-5H-cyclopenta[d]pyrimidin-4-amine has a molecular weight of 217.32 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-di(propan-2-yl)-5H-cyclopenta[d]pyrimidin-4-amine is sourced from PubChem (CID 58222897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).