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

C18H18N6 — CID 59564771

IUPACN-[2-(1H-indol-3-yl)ethyl]-4-(5-methyl-1H-pyrazol-4-yl)pyrimidin-2-amine
SMILESCc1[nH]ncc1-c1ccnc(NCCc2c[nH]c3ccccc23)n1
InChIInChI=1S/C18H18N6/c1-12-15(11-22-24-12)17-7-9-20-18(23-17)19-8-6-13-10-21-16-5-3-2-4-14(13)16/h2-5,7,9-11,21H,6,8H2,1H3,(H,22,24)(H,19,20,23)
InChIKeyVBTHLAKDNIQOSI-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.31
Rot. Bonds5

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

N-[2-(1H-indol-3-yl)ethyl]-4-(5-methyl-1H-pyrazol-4-yl)pyrimidin-2-amine (PubChem CID 59564771) has the molecular formula C18H18N6 and a molecular weight of 318.38 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-4-(5-methyl-1H-pyrazol-4-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-4-(5-methyl-1H-pyrazol-4-yl)pyrimidin-2-amine
PubChem CID59564771
Molecular FormulaC18H18N6
Molecular Weight318.38 g/mol
Exact Mass318.16
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-4-(5-methyl-1H-pyrazol-4-yl)pyrimidin-2-amine
SMILESCc1[nH]ncc1-c1ccnc(NCCc2c[nH]c3ccccc23)n1
InChIInChI=1S/C18H18N6/c1-12-15(11-22-24-12)17-7-9-20-18(23-17)19-8-6-13-10-21-16-5-3-2-4-14(13)16/h2-5,7,9-11,21H,6,8H2,1H3,(H,22,24)(H,19,20,23)
InChIKeyVBTHLAKDNIQOSI-UHFFFAOYSA-N
XLogP3.31
TPSA82.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-butyl-4-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-2,4-diamine
CID 112883035
4-N-[2-(1H-indol-3-yl)ethyl]-2-N-(3-methylbutyl)pyrimidine-2,4-diamine
CID 112896684
N-[2-(1H-indol-3-yl)ethyl]-4-pyrrolidin-1-ylpyrimidin-2-amine
CID 112883844
4-N-[2-(1H-indol-3-yl)ethyl]-2-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112895017
2-N-[2-(1H-indol-3-yl)ethyl]-4-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112894903
2-[2-(1H-indol-3-yl)ethylamino]-N-methyl-N-phenylpyrimidine-4-carboxamide
CID 109309599
2-N-[2-(1H-indol-3-yl)ethyl]-4-N-(3-methoxypropyl)pyrimidine-2,4-diamine
CID 112886032
(4-ethylpiperazin-1-yl)-[2-[2-(1H-indol-3-yl)ethylamino]pyrimidin-4-yl]methanone
CID 109302555
2-N-[2-(1H-indol-3-yl)ethyl]-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112893147
4-(4-fluorophenoxy)-N-[2-(1H-indol-3-yl)ethyl]pyrimidin-2-amine
CID 56553608
4-N-[2-(1H-indol-3-yl)ethyl]-2-N-(2-methylphenyl)pyrimidine-2,4-diamine
CID 112896693
2-N-(2,6-dimethylphenyl)-4-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-2,4-diamine
CID 112896703

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-4-(5-methyl-1H-pyrazol-4-yl)pyrimidin-2-amine?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-4-(5-methyl-1H-pyrazol-4-yl)pyrimidin-2-amine (CID 59564771) is N-[2-(1H-indol-3-yl)ethyl]-4-(5-methyl-1H-pyrazol-4-yl)pyrimidin-2-amine.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-4-(5-methyl-1H-pyrazol-4-yl)pyrimidin-2-amine?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-4-(5-methyl-1H-pyrazol-4-yl)pyrimidin-2-amine is Cc1[nH]ncc1-c1ccnc(NCCc2c[nH]c3ccccc23)n1.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-4-(5-methyl-1H-pyrazol-4-yl)pyrimidin-2-amine?
The InChIKey is VBTHLAKDNIQOSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6/c1-12-15(11-22-24-12)17-7-9-20-18(23-17)19-8-6-13-10-21-16-5-3-2-4-14(13)16/h2-5,7,9-11,21H,6,8H2,1H3,(H,22,24)(H,19,20,23).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-4-(5-methyl-1H-pyrazol-4-yl)pyrimidin-2-amine?
N-[2-(1H-indol-3-yl)ethyl]-4-(5-methyl-1H-pyrazol-4-yl)pyrimidin-2-amine has a molecular weight of 318.38 g/mol, XLogP of 3.31, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-4-(5-methyl-1H-pyrazol-4-yl)pyrimidin-2-amine is sourced from PubChem (CID 59564771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).