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

C18H21N5O — CID 162664287

IUPAC4-(1H-indol-3-yl)-5-methoxy-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine
SMILESCOc1cnc(N[C@H]2CCCNC2)nc1-c1c[nH]c2ccccc12
InChIInChI=1S/C18H21N5O/c1-24-16-11-21-18(22-12-5-4-8-19-9-12)23-17(16)14-10-20-15-7-3-2-6-13(14)15/h2-3,6-7,10-12,19-20H,4-5,8-9H2,1H3,(H,21,22,23)/t12-/m0/s1
InChIKeyZANQQJNKVAGSIZ-LBPRGKRZSA-N
MW323.40 g/mol
LogP2.80
Rot. Bonds4

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

4-(1H-indol-3-yl)-5-methoxy-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine (PubChem CID 162664287) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 4-(1H-indol-3-yl)-5-methoxy-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(1H-indol-3-yl)-5-methoxy-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine
PubChem CID162664287
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name4-(1H-indol-3-yl)-5-methoxy-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine
SMILESCOc1cnc(N[C@H]2CCCNC2)nc1-c1c[nH]c2ccccc12
InChIInChI=1S/C18H21N5O/c1-24-16-11-21-18(22-12-5-4-8-19-9-12)23-17(16)14-10-20-15-7-3-2-6-13(14)15/h2-3,6-7,10-12,19-20H,4-5,8-9H2,1H3,(H,21,22,23)/t12-/m0/s1
InChIKeyZANQQJNKVAGSIZ-LBPRGKRZSA-N
XLogP2.80
TPSA74.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-3-yl)-5-methoxy-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine?
The IUPAC name of 4-(1H-indol-3-yl)-5-methoxy-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine (CID 162664287) is 4-(1H-indol-3-yl)-5-methoxy-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-(1H-indol-3-yl)-5-methoxy-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine?
The canonical SMILES for 4-(1H-indol-3-yl)-5-methoxy-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine is COc1cnc(N[C@H]2CCCNC2)nc1-c1c[nH]c2ccccc12.
What is the InChIKey of 4-(1H-indol-3-yl)-5-methoxy-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine?
The InChIKey is ZANQQJNKVAGSIZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H21N5O/c1-24-16-11-21-18(22-12-5-4-8-19-9-12)23-17(16)14-10-20-15-7-3-2-6-13(14)15/h2-3,6-7,10-12,19-20H,4-5,8-9H2,1H3,(H,21,22,23)/t12-/m0/s1.
What are the key properties of 4-(1H-indol-3-yl)-5-methoxy-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine?
4-(1H-indol-3-yl)-5-methoxy-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine has a molecular weight of 323.40 g/mol, XLogP of 2.80, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-3-yl)-5-methoxy-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 162664287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).