4-N-(1H-indazol-5-ylmethyl)-2-N-(1H-indol-6-ylmethyl)pyrimidine-2,4-diamine

C21H19N7 — CID 123191794

IUPAC4-N-(1H-indazol-5-ylmethyl)-2-N-(1H-indol-6-ylmethyl)pyrimidine-2,4-diamine
SMILESc1cc(NCc2ccc3[nH]ncc3c2)nc(NCc2ccc3cc[nH]c3c2)n1
InChIInChI=1S/C21H19N7/c1-3-16-5-7-22-19(16)10-15(1)12-25-21-23-8-6-20(27-21)24-11-14-2-4-18-17(9-14)13-26-28-18/h1-10,13,22H,11-12H2,(H,26,28)(H2,23,24,25,27)
InChIKeyAWSYUPXLVDPLAR-UHFFFAOYSA-N
MW369.43 g/mol
LogP4.06
Rot. Bonds6

About 4-N-(1H-indazol-5-ylmethyl)-2-N-(1H-indol-6-ylmethyl)pyrimidine-2,4-diamine

4-N-(1H-indazol-5-ylmethyl)-2-N-(1H-indol-6-ylmethyl)pyrimidine-2,4-diamine (PubChem CID 123191794) has the molecular formula C21H19N7 and a molecular weight of 369.43 g/mol. Its IUPAC name is 4-N-(1H-indazol-5-ylmethyl)-2-N-(1H-indol-6-ylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(1H-indazol-5-ylmethyl)-2-N-(1H-indol-6-ylmethyl)pyrimidine-2,4-diamine
PubChem CID123191794
Molecular FormulaC21H19N7
Molecular Weight369.43 g/mol
Exact Mass369.17
IUPAC Name4-N-(1H-indazol-5-ylmethyl)-2-N-(1H-indol-6-ylmethyl)pyrimidine-2,4-diamine
SMILESc1cc(NCc2ccc3[nH]ncc3c2)nc(NCc2ccc3cc[nH]c3c2)n1
InChIInChI=1S/C21H19N7/c1-3-16-5-7-22-19(16)10-15(1)12-25-21-23-8-6-20(27-21)24-11-14-2-4-18-17(9-14)13-26-28-18/h1-10,13,22H,11-12H2,(H,26,28)(H2,23,24,25,27)
InChIKeyAWSYUPXLVDPLAR-UHFFFAOYSA-N
XLogP4.06
TPSA94.31 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 54.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-(1H-indazol-6-ylmethyl)-4-N-(1H-indol-5-ylmethyl)pyrimidine-2,4-diamine
CID 123451488
2-N-(1H-indazol-5-ylmethyl)-4-N-[(2-methylindol-1-yl)methyl]pyrimidine-2,4-diamine
CID 123549347
4-N-(1H-indol-4-yl)-2-N-(1H-indol-5-ylmethyl)pyrimidine-2,4-diamine
CID 54755230
2-N-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-4-N-(1H-indol-5-ylmethyl)pyrimidine-2,4-diamine
CID 123729544
4-N-[4-(1H-indol-5-ylmethylamino)pyrimidin-2-yl]-6-N-methyl-1H-indole-4,6-diamine
CID 123314753
4-[[4-(1H-indol-5-ylmethylamino)pyrimidin-2-yl]amino]-1H-indole-6-carboxylic acid
CID 67470672
N-(naphthalen-2-ylmethyl)-1H-indazol-5-amine
CID 762796
N-(1H-indazol-5-ylmethyl)-1-methylpyrazolo[4,3-d]pyrimidin-5-amine
CID 150211029
5-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(1H-indazol-5-ylmethyl)pyrimidine-2,4-diamine
CID 71272739
N-(1H-indol-5-ylmethyl)-1H-indazol-4-amine
CID 102910187
5-[[2-(1H-indol-5-ylmethylamino)pyrimidin-4-yl]amino]-1H-indole-2-carboxylic acid
CID 118481332
4-N-(1H-indol-5-ylmethyl)-2-N-[2-(5-phenoxy-1H-indol-3-yl)ethyl]pyrimidine-2,4-diamine
CID 123644006

Frequently Asked Questions

What is the IUPAC name of 4-N-(1H-indazol-5-ylmethyl)-2-N-(1H-indol-6-ylmethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(1H-indazol-5-ylmethyl)-2-N-(1H-indol-6-ylmethyl)pyrimidine-2,4-diamine (CID 123191794) is 4-N-(1H-indazol-5-ylmethyl)-2-N-(1H-indol-6-ylmethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(1H-indazol-5-ylmethyl)-2-N-(1H-indol-6-ylmethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(1H-indazol-5-ylmethyl)-2-N-(1H-indol-6-ylmethyl)pyrimidine-2,4-diamine is c1cc(NCc2ccc3[nH]ncc3c2)nc(NCc2ccc3cc[nH]c3c2)n1.
What is the InChIKey of 4-N-(1H-indazol-5-ylmethyl)-2-N-(1H-indol-6-ylmethyl)pyrimidine-2,4-diamine?
The InChIKey is AWSYUPXLVDPLAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N7/c1-3-16-5-7-22-19(16)10-15(1)12-25-21-23-8-6-20(27-21)24-11-14-2-4-18-17(9-14)13-26-28-18/h1-10,13,22H,11-12H2,(H,26,28)(H2,23,24,25,27).
What are the key properties of 4-N-(1H-indazol-5-ylmethyl)-2-N-(1H-indol-6-ylmethyl)pyrimidine-2,4-diamine?
4-N-(1H-indazol-5-ylmethyl)-2-N-(1H-indol-6-ylmethyl)pyrimidine-2,4-diamine has a molecular weight of 369.43 g/mol, XLogP of 4.06, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1H-indazol-5-ylmethyl)-2-N-(1H-indol-6-ylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 123191794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).