2-N-(1H-indazol-5-ylmethyl)-4-N-[(2-methylindol-1-yl)methyl]pyrimidine-2,4-diamine

C22H21N7 — CID 123549347

IUPAC2-N-(1H-indazol-5-ylmethyl)-4-N-[(2-methylindol-1-yl)methyl]pyrimidine-2,4-diamine
SMILESCc1cc2ccccc2n1CNc1ccnc(NCc2ccc3[nH]ncc3c2)n1
InChIInChI=1S/C22H21N7/c1-15-10-17-4-2-3-5-20(17)29(15)14-25-21-8-9-23-22(27-21)24-12-16-6-7-19-18(11-16)13-26-28-19/h2-11,13H,12,14H2,1H3,(H,26,28)(H2,23,24,25,27)
InChIKeyXWMXDYZKVXGVBW-UHFFFAOYSA-N
MW383.46 g/mol
LogP4.30
Rot. Bonds6

About 2-N-(1H-indazol-5-ylmethyl)-4-N-[(2-methylindol-1-yl)methyl]pyrimidine-2,4-diamine

2-N-(1H-indazol-5-ylmethyl)-4-N-[(2-methylindol-1-yl)methyl]pyrimidine-2,4-diamine (PubChem CID 123549347) has the molecular formula C22H21N7 and a molecular weight of 383.46 g/mol. Its IUPAC name is 2-N-(1H-indazol-5-ylmethyl)-4-N-[(2-methylindol-1-yl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(1H-indazol-5-ylmethyl)-4-N-[(2-methylindol-1-yl)methyl]pyrimidine-2,4-diamine
PubChem CID123549347
Molecular FormulaC22H21N7
Molecular Weight383.46 g/mol
Exact Mass383.19
IUPAC Name2-N-(1H-indazol-5-ylmethyl)-4-N-[(2-methylindol-1-yl)methyl]pyrimidine-2,4-diamine
SMILESCc1cc2ccccc2n1CNc1ccnc(NCc2ccc3[nH]ncc3c2)n1
InChIInChI=1S/C22H21N7/c1-15-10-17-4-2-3-5-20(17)29(15)14-25-21-8-9-23-22(27-21)24-12-16-6-7-19-18(11-16)13-26-28-19/h2-11,13H,12,14H2,1H3,(H,26,28)(H2,23,24,25,27)
InChIKeyXWMXDYZKVXGVBW-UHFFFAOYSA-N
XLogP4.30
TPSA83.45 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 54.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-N-(1H-indazol-5-ylmethyl)-4-N-[(2-methylindol-1-yl)methyl]pyrimidine-2,4-diamine with MolForge

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Related Compounds

4-N-(1H-indazol-5-ylmethyl)-2-N-(1H-indol-6-ylmethyl)pyrimidine-2,4-diamine
CID 123191794
2-N-(1H-indol-4-yl)-4-N-[(2-methylindol-1-yl)methyl]pyrimidine-2,4-diamine
CID 123687026
2-N-(1H-indazol-6-ylmethyl)-4-N-(1H-indol-5-ylmethyl)pyrimidine-2,4-diamine
CID 123451488
N-(1H-indazol-5-ylmethyl)-1-methylpyrazolo[4,3-d]pyrimidin-5-amine
CID 150211029
N-(naphthalen-2-ylmethyl)-1H-indazol-5-amine
CID 762796
N-[(6-methyl-3-pyridinyl)methyl]-1H-indazol-5-amine
CID 104756562
2-N-(1H-indazol-5-yl)-4-N-quinolin-3-ylpyrimidine-2,4-diamine
CID 86210861
4-N-[(3-methylphenyl)methyl]-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112889977
5-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(1H-indazol-5-ylmethyl)pyrimidine-2,4-diamine
CID 71272739
6-(ethylamino)-4-(1H-indazol-5-ylmethylamino)pyridine-3-carbonitrile
CID 154726599
4-N-(1H-indol-4-yl)-2-N-(1H-indol-5-ylmethyl)pyrimidine-2,4-diamine
CID 54755230
N-[(4-ethylphenyl)methyl]-1H-indazol-5-amine
CID 43690856

Frequently Asked Questions

What is the IUPAC name of 2-N-(1H-indazol-5-ylmethyl)-4-N-[(2-methylindol-1-yl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(1H-indazol-5-ylmethyl)-4-N-[(2-methylindol-1-yl)methyl]pyrimidine-2,4-diamine (CID 123549347) is 2-N-(1H-indazol-5-ylmethyl)-4-N-[(2-methylindol-1-yl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(1H-indazol-5-ylmethyl)-4-N-[(2-methylindol-1-yl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(1H-indazol-5-ylmethyl)-4-N-[(2-methylindol-1-yl)methyl]pyrimidine-2,4-diamine is Cc1cc2ccccc2n1CNc1ccnc(NCc2ccc3[nH]ncc3c2)n1.
What is the InChIKey of 2-N-(1H-indazol-5-ylmethyl)-4-N-[(2-methylindol-1-yl)methyl]pyrimidine-2,4-diamine?
The InChIKey is XWMXDYZKVXGVBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N7/c1-15-10-17-4-2-3-5-20(17)29(15)14-25-21-8-9-23-22(27-21)24-12-16-6-7-19-18(11-16)13-26-28-19/h2-11,13H,12,14H2,1H3,(H,26,28)(H2,23,24,25,27).
What are the key properties of 2-N-(1H-indazol-5-ylmethyl)-4-N-[(2-methylindol-1-yl)methyl]pyrimidine-2,4-diamine?
2-N-(1H-indazol-5-ylmethyl)-4-N-[(2-methylindol-1-yl)methyl]pyrimidine-2,4-diamine has a molecular weight of 383.46 g/mol, XLogP of 4.30, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1H-indazol-5-ylmethyl)-4-N-[(2-methylindol-1-yl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 123549347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).