6-(aminomethyl)-2-methyl-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]pyrimidin-4-amine

C15H22N6 — CID 56714809

IUPAC6-(aminomethyl)-2-methyl-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]pyrimidin-4-amine
SMILESCc1nc(CN)cc(NCCc2n[nH]c3c2CCCC3)n1
InChIInChI=1S/C15H22N6/c1-10-18-11(9-16)8-15(19-10)17-7-6-14-12-4-2-3-5-13(12)20-21-14/h8H,2-7,9,16H2,1H3,(H,20,21)(H,17,18,19)
InChIKeyBPSITFJCHZTQMO-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.50
Rot. Bonds5

About 6-(aminomethyl)-2-methyl-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]pyrimidin-4-amine

6-(aminomethyl)-2-methyl-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]pyrimidin-4-amine (PubChem CID 56714809) has the molecular formula C15H22N6 and a molecular weight of 286.38 g/mol. Its IUPAC name is 6-(aminomethyl)-2-methyl-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(aminomethyl)-2-methyl-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]pyrimidin-4-amine
PubChem CID56714809
Molecular FormulaC15H22N6
Molecular Weight286.38 g/mol
Exact Mass286.19
IUPAC Name6-(aminomethyl)-2-methyl-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]pyrimidin-4-amine
SMILESCc1nc(CN)cc(NCCc2n[nH]c3c2CCCC3)n1
InChIInChI=1S/C15H22N6/c1-10-18-11(9-16)8-15(19-10)17-7-6-14-12-4-2-3-5-13(12)20-21-14/h8H,2-7,9,16H2,1H3,(H,20,21)(H,17,18,19)
InChIKeyBPSITFJCHZTQMO-UHFFFAOYSA-N
XLogP1.50
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4,5,6,7-tetrahydro-1H-indazol-3-ylmethanamine
CID 3163200
6-(aminomethyl)-N-[2-(1H-imidazol-5-yl)ethyl]-2-methylpyrimidin-4-amine
CID 56711259
6-piperidin-3-yl-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]pyrimidin-4-amine
CID 45173265
N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-6-ethyl-2-methylpyrimidin-4-amine
CID 133462019
N-[2-(cyclopenten-1-yl)ethyl]-2,6-dimethylpyrimidin-4-amine
CID 103844282
6-(3-aminocyclobutyl)-2-(methoxymethyl)-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)pyrimidin-4-amine;dihydrochloride
CID 154902022
3-(1-methylimidazol-4-yl)-5-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]-1,2,4-oxadiazole
CID 39804568
(2S)-2-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)propane-1,2-diamine
CID 104867885
1-methyl-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]imidazo[2,1-e]pyrazole-7-carboxamide
CID 50981979
6-N-[2-(cyclohexen-1-yl)ethyl]-2-methyl-4-N-prop-2-enylpyrimidine-4,6-diamine
CID 112867644
6-N-[2-(cyclohexen-1-yl)ethyl]-2-methyl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine
CID 112869351
6-ethyl-N-[2-(4-methoxyphenyl)ethyl]-2-methylpyrimidin-4-amine
CID 65416274

Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-2-methyl-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]pyrimidin-4-amine?
The IUPAC name of 6-(aminomethyl)-2-methyl-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]pyrimidin-4-amine (CID 56714809) is 6-(aminomethyl)-2-methyl-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-(aminomethyl)-2-methyl-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 6-(aminomethyl)-2-methyl-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]pyrimidin-4-amine is Cc1nc(CN)cc(NCCc2n[nH]c3c2CCCC3)n1.
What is the InChIKey of 6-(aminomethyl)-2-methyl-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]pyrimidin-4-amine?
The InChIKey is BPSITFJCHZTQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6/c1-10-18-11(9-16)8-15(19-10)17-7-6-14-12-4-2-3-5-13(12)20-21-14/h8H,2-7,9,16H2,1H3,(H,20,21)(H,17,18,19).
What are the key properties of 6-(aminomethyl)-2-methyl-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]pyrimidin-4-amine?
6-(aminomethyl)-2-methyl-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]pyrimidin-4-amine has a molecular weight of 286.38 g/mol, XLogP of 1.50, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-2-methyl-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 56714809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).