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

C19H23N5 — CID 150511766

IUPAC5-ethyl-4-(1H-indol-3-yl)-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine
SMILESCCc1cnc(N[C@H]2CCCNC2)nc1-c1c[nH]c2ccccc12
InChIInChI=1S/C19H23N5/c1-2-13-10-22-19(23-14-6-5-9-20-11-14)24-18(13)16-12-21-17-8-4-3-7-15(16)17/h3-4,7-8,10,12,14,20-21H,2,5-6,9,11H2,1H3,(H,22,23,24)/t14-/m0/s1
InChIKeyHZZNUWNFLHMBRW-AWEZNQCLSA-N
MW321.43 g/mol
LogP3.35
Rot. Bonds4

About 5-ethyl-4-(1H-indol-3-yl)-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine

5-ethyl-4-(1H-indol-3-yl)-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine (PubChem CID 150511766) has the molecular formula C19H23N5 and a molecular weight of 321.43 g/mol. Its IUPAC name is 5-ethyl-4-(1H-indol-3-yl)-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-ethyl-4-(1H-indol-3-yl)-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine
PubChem CID150511766
Molecular FormulaC19H23N5
Molecular Weight321.43 g/mol
Exact Mass321.20
IUPAC Name5-ethyl-4-(1H-indol-3-yl)-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine
SMILESCCc1cnc(N[C@H]2CCCNC2)nc1-c1c[nH]c2ccccc12
InChIInChI=1S/C19H23N5/c1-2-13-10-22-19(23-14-6-5-9-20-11-14)24-18(13)16-12-21-17-8-4-3-7-15(16)17/h3-4,7-8,10,12,14,20-21H,2,5-6,9,11H2,1H3,(H,22,23,24)/t14-/m0/s1
InChIKeyHZZNUWNFLHMBRW-AWEZNQCLSA-N
XLogP3.35
TPSA65.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-(1H-indol-3-yl)-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine?
The IUPAC name of 5-ethyl-4-(1H-indol-3-yl)-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine (CID 150511766) is 5-ethyl-4-(1H-indol-3-yl)-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-ethyl-4-(1H-indol-3-yl)-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine?
The canonical SMILES for 5-ethyl-4-(1H-indol-3-yl)-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine is CCc1cnc(N[C@H]2CCCNC2)nc1-c1c[nH]c2ccccc12.
What is the InChIKey of 5-ethyl-4-(1H-indol-3-yl)-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine?
The InChIKey is HZZNUWNFLHMBRW-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H23N5/c1-2-13-10-22-19(23-14-6-5-9-20-11-14)24-18(13)16-12-21-17-8-4-3-7-15(16)17/h3-4,7-8,10,12,14,20-21H,2,5-6,9,11H2,1H3,(H,22,23,24)/t14-/m0/s1.
What are the key properties of 5-ethyl-4-(1H-indol-3-yl)-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine?
5-ethyl-4-(1H-indol-3-yl)-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine has a molecular weight of 321.43 g/mol, XLogP of 3.35, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-(1H-indol-3-yl)-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 150511766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).