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

C22H27N5 — CID 44591228

IUPACN-cyclopropyl-4-[1-[2-(1H-indol-3-yl)ethyl]piperidin-3-yl]pyrimidin-2-amine
SMILESc1ccc2c(CCN3CCCC(c4ccnc(NC5CC5)n4)C3)c[nH]c2c1
InChIInChI=1S/C22H27N5/c1-2-6-21-19(5-1)16(14-24-21)10-13-27-12-3-4-17(15-27)20-9-11-23-22(26-20)25-18-7-8-18/h1-2,5-6,9,11,14,17-18,24H,3-4,7-8,10,12-13,15H2,(H,23,25,26)
InChIKeyBWRZYJMZRBKIAZ-UHFFFAOYSA-N
MW361.49 g/mol
LogP3.95
Rot. Bonds6

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

N-cyclopropyl-4-[1-[2-(1H-indol-3-yl)ethyl]piperidin-3-yl]pyrimidin-2-amine (PubChem CID 44591228) has the molecular formula C22H27N5 and a molecular weight of 361.49 g/mol. Its IUPAC name is N-cyclopropyl-4-[1-[2-(1H-indol-3-yl)ethyl]piperidin-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-cyclopropyl-4-[1-[2-(1H-indol-3-yl)ethyl]piperidin-3-yl]pyrimidin-2-amine
PubChem CID44591228
Molecular FormulaC22H27N5
Molecular Weight361.49 g/mol
Exact Mass361.23
IUPAC NameN-cyclopropyl-4-[1-[2-(1H-indol-3-yl)ethyl]piperidin-3-yl]pyrimidin-2-amine
SMILESc1ccc2c(CCN3CCCC(c4ccnc(NC5CC5)n4)C3)c[nH]c2c1
InChIInChI=1S/C22H27N5/c1-2-6-21-19(5-1)16(14-24-21)10-13-27-12-3-4-17(15-27)20-9-11-23-22(26-20)25-18-7-8-18/h1-2,5-6,9,11,14,17-18,24H,3-4,7-8,10,12-13,15H2,(H,23,25,26)
InChIKeyBWRZYJMZRBKIAZ-UHFFFAOYSA-N
XLogP3.95
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[1-[2-(1H-indol-3-yl)ethyl]piperidin-3-yl]pyrimidin-2-amine?
The IUPAC name of N-cyclopropyl-4-[1-[2-(1H-indol-3-yl)ethyl]piperidin-3-yl]pyrimidin-2-amine (CID 44591228) is N-cyclopropyl-4-[1-[2-(1H-indol-3-yl)ethyl]piperidin-3-yl]pyrimidin-2-amine.
What is the SMILES notation for N-cyclopropyl-4-[1-[2-(1H-indol-3-yl)ethyl]piperidin-3-yl]pyrimidin-2-amine?
The canonical SMILES for N-cyclopropyl-4-[1-[2-(1H-indol-3-yl)ethyl]piperidin-3-yl]pyrimidin-2-amine is c1ccc2c(CCN3CCCC(c4ccnc(NC5CC5)n4)C3)c[nH]c2c1.
What is the InChIKey of N-cyclopropyl-4-[1-[2-(1H-indol-3-yl)ethyl]piperidin-3-yl]pyrimidin-2-amine?
The InChIKey is BWRZYJMZRBKIAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5/c1-2-6-21-19(5-1)16(14-24-21)10-13-27-12-3-4-17(15-27)20-9-11-23-22(26-20)25-18-7-8-18/h1-2,5-6,9,11,14,17-18,24H,3-4,7-8,10,12-13,15H2,(H,23,25,26).
What are the key properties of N-cyclopropyl-4-[1-[2-(1H-indol-3-yl)ethyl]piperidin-3-yl]pyrimidin-2-amine?
N-cyclopropyl-4-[1-[2-(1H-indol-3-yl)ethyl]piperidin-3-yl]pyrimidin-2-amine has a molecular weight of 361.49 g/mol, XLogP of 3.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[1-[2-(1H-indol-3-yl)ethyl]piperidin-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 44591228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).