N-cyclopropyl-4-[1-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]piperidin-3-yl]pyrimidin-2-amine

C23H30N4 — CID 44591281

IUPACN-cyclopropyl-4-[1-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]piperidin-3-yl]pyrimidin-2-amine
SMILESc1ccc2c(c1)CC(CCN1CCCC(c3ccnc(NC4CC4)n3)C1)C2
InChIInChI=1S/C23H30N4/c1-2-5-19-15-17(14-18(19)4-1)10-13-27-12-3-6-20(16-27)22-9-11-24-23(26-22)25-21-7-8-21/h1-2,4-5,9,11,17,20-21H,3,6-8,10,12-16H2,(H,24,25,26)
InChIKeyOTGGRKWIRVAPBH-UHFFFAOYSA-N
MW362.52 g/mol
LogP4.04
Rot. Bonds6

About N-cyclopropyl-4-[1-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]piperidin-3-yl]pyrimidin-2-amine

N-cyclopropyl-4-[1-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]piperidin-3-yl]pyrimidin-2-amine (PubChem CID 44591281) has the molecular formula C23H30N4 and a molecular weight of 362.52 g/mol. Its IUPAC name is N-cyclopropyl-4-[1-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]piperidin-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-cyclopropyl-4-[1-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]piperidin-3-yl]pyrimidin-2-amine
PubChem CID44591281
Molecular FormulaC23H30N4
Molecular Weight362.52 g/mol
Exact Mass362.25
IUPAC NameN-cyclopropyl-4-[1-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]piperidin-3-yl]pyrimidin-2-amine
SMILESc1ccc2c(c1)CC(CCN1CCCC(c3ccnc(NC4CC4)n3)C1)C2
InChIInChI=1S/C23H30N4/c1-2-5-19-15-17(14-18(19)4-1)10-13-27-12-3-6-20(16-27)22-9-11-24-23(26-22)25-21-7-8-21/h1-2,4-5,9,11,17,20-21H,3,6-8,10,12-16H2,(H,24,25,26)
InChIKeyOTGGRKWIRVAPBH-UHFFFAOYSA-N
XLogP4.04
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.52
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[1-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]piperidin-3-yl]pyrimidin-2-amine?
The IUPAC name of N-cyclopropyl-4-[1-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]piperidin-3-yl]pyrimidin-2-amine (CID 44591281) is N-cyclopropyl-4-[1-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]piperidin-3-yl]pyrimidin-2-amine.
What is the SMILES notation for N-cyclopropyl-4-[1-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]piperidin-3-yl]pyrimidin-2-amine?
The canonical SMILES for N-cyclopropyl-4-[1-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]piperidin-3-yl]pyrimidin-2-amine is c1ccc2c(c1)CC(CCN1CCCC(c3ccnc(NC4CC4)n3)C1)C2.
What is the InChIKey of N-cyclopropyl-4-[1-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]piperidin-3-yl]pyrimidin-2-amine?
The InChIKey is OTGGRKWIRVAPBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4/c1-2-5-19-15-17(14-18(19)4-1)10-13-27-12-3-6-20(16-27)22-9-11-24-23(26-22)25-21-7-8-21/h1-2,4-5,9,11,17,20-21H,3,6-8,10,12-16H2,(H,24,25,26).
What are the key properties of N-cyclopropyl-4-[1-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]piperidin-3-yl]pyrimidin-2-amine?
N-cyclopropyl-4-[1-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]piperidin-3-yl]pyrimidin-2-amine has a molecular weight of 362.52 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[1-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]piperidin-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 44591281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).