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

C19H20N6 — CID 110453258

IUPACN-[1H-indol-3-yl-(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidin-2-amine
SMILESCc1nn(C)c(C)c1C(Nc1ncccn1)c1c[nH]c2ccccc12
InChIInChI=1S/C19H20N6/c1-12-17(13(2)25(3)24-12)18(23-19-20-9-6-10-21-19)15-11-22-16-8-5-4-7-14(15)16/h4-11,18,22H,1-3H3,(H,20,21,23)
InChIKeyFWPYDHPXOMDNTI-UHFFFAOYSA-N
MW332.41 g/mol
LogP3.51
Rot. Bonds4

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

N-[1H-indol-3-yl-(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidin-2-amine (PubChem CID 110453258) has the molecular formula C19H20N6 and a molecular weight of 332.41 g/mol. Its IUPAC name is N-[1H-indol-3-yl-(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[1H-indol-3-yl-(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidin-2-amine
PubChem CID110453258
Molecular FormulaC19H20N6
Molecular Weight332.41 g/mol
Exact Mass332.17
IUPAC NameN-[1H-indol-3-yl-(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidin-2-amine
SMILESCc1nn(C)c(C)c1C(Nc1ncccn1)c1c[nH]c2ccccc12
InChIInChI=1S/C19H20N6/c1-12-17(13(2)25(3)24-12)18(23-19-20-9-6-10-21-19)15-11-22-16-8-5-4-7-14(15)16/h4-11,18,22H,1-3H3,(H,20,21,23)
InChIKeyFWPYDHPXOMDNTI-UHFFFAOYSA-N
XLogP3.51
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[1H-indol-3-yl-(pyrimidin-2-ylamino)methyl]benzoic acid
CID 110453289
N-[3-(1H-indol-3-yl)propyl]-2-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 56783461
3-propan-2-yl-1H-indole
CID 12534824
N-[(4-bromophenyl)-(1H-indol-3-yl)methyl]-4,6-dimethylpyrimidin-2-amine
CID 102051740
N-(1,3,5-trimethylpyrazol-4-yl)-1H-indole-3-carboxamide
CID 47113057
N-[(2-fluorophenyl)-(1H-indol-3-yl)methyl]pyridin-2-amine
CID 66573206
N-[2-(1H-indol-3-yl)-2-phenylethyl]pyrimidin-2-amine
CID 55346930
[phenyl-(1,3,5-trimethylpyrazol-4-yl)methyl]hydrazine
CID 105282920
quinolin-8-yl-(1,3,5-trimethylpyrazol-4-yl)methanamine
CID 105172503
1-(1H-indol-3-yl)-N-methyl-1-phenylmethanamine
CID 11322318
(2-chlorophenyl)-(1,3,5-trimethylpyrazol-4-yl)methanamine
CID 115580073
1H-indol-3-yl-(2-methyltriazol-4-yl)methanamine
CID 112742614

Frequently Asked Questions

What is the IUPAC name of N-[1H-indol-3-yl-(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidin-2-amine?
The IUPAC name of N-[1H-indol-3-yl-(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidin-2-amine (CID 110453258) is N-[1H-indol-3-yl-(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidin-2-amine.
What is the SMILES notation for N-[1H-indol-3-yl-(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidin-2-amine?
The canonical SMILES for N-[1H-indol-3-yl-(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidin-2-amine is Cc1nn(C)c(C)c1C(Nc1ncccn1)c1c[nH]c2ccccc12.
What is the InChIKey of N-[1H-indol-3-yl-(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidin-2-amine?
The InChIKey is FWPYDHPXOMDNTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6/c1-12-17(13(2)25(3)24-12)18(23-19-20-9-6-10-21-19)15-11-22-16-8-5-4-7-14(15)16/h4-11,18,22H,1-3H3,(H,20,21,23).
What are the key properties of N-[1H-indol-3-yl-(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidin-2-amine?
N-[1H-indol-3-yl-(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidin-2-amine has a molecular weight of 332.41 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1H-indol-3-yl-(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidin-2-amine is sourced from PubChem (CID 110453258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).