5-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(1H-indazol-5-ylmethyl)pyrimidine-2,4-diamine

C18H18N8 — CID 71272739

IUPAC5-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(1H-indazol-5-ylmethyl)pyrimidine-2,4-diamine
SMILESNc1nc(NCc2ccc3[nH]ncc3c2)ncc1-c1cc(C2CC2)[nH]n1
InChIInChI=1S/C18H18N8/c19-17-13(16-6-15(25-26-16)11-2-3-11)9-21-18(23-17)20-7-10-1-4-14-12(5-10)8-22-24-14/h1,4-6,8-9,11H,2-3,7H2,(H,22,24)(H,25,26)(H3,19,20,21,23)
InChIKeyHSTLDOMDKMTACR-UHFFFAOYSA-N
MW346.40 g/mol
LogP2.81
Rot. Bonds5

About 5-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(1H-indazol-5-ylmethyl)pyrimidine-2,4-diamine

5-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(1H-indazol-5-ylmethyl)pyrimidine-2,4-diamine (PubChem CID 71272739) has the molecular formula C18H18N8 and a molecular weight of 346.40 g/mol. Its IUPAC name is 5-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(1H-indazol-5-ylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(1H-indazol-5-ylmethyl)pyrimidine-2,4-diamine
PubChem CID71272739
Molecular FormulaC18H18N8
Molecular Weight346.40 g/mol
Exact Mass346.17
IUPAC Name5-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(1H-indazol-5-ylmethyl)pyrimidine-2,4-diamine
SMILESNc1nc(NCc2ccc3[nH]ncc3c2)ncc1-c1cc(C2CC2)[nH]n1
InChIInChI=1S/C18H18N8/c19-17-13(16-6-15(25-26-16)11-2-3-11)9-21-18(23-17)20-7-10-1-4-14-12(5-10)8-22-24-14/h1,4-6,8-9,11H,2-3,7H2,(H,22,24)(H,25,26)(H3,19,20,21,23)
InChIKeyHSTLDOMDKMTACR-UHFFFAOYSA-N
XLogP2.81
TPSA121.19 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.40
LogP ≤ 52.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

5-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine
CID 67363362
6-(5-cyclopropyl-1H-pyrazol-3-yl)-5-ethynyl-2-N-(1H-indazol-5-yl)pyrimidine-2,4-diamine
CID 87331408
6-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(4-fluorophenyl)methyl]pyrimidine-2,4,5-triamine
CID 69150068
N-(1H-indazol-5-ylmethyl)-1-methylpyrazolo[4,3-d]pyrimidin-5-amine
CID 150211029
N-[(4-cyclopropylphenyl)methyl]-1H-indazol-5-amine
CID 79968714
4-N-(1H-indazol-5-ylmethyl)-2-N-(1H-indol-6-ylmethyl)pyrimidine-2,4-diamine
CID 123191794
5-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[4-(3-morpholin-4-ylpropoxy)phenyl]pyrimidine-2,4-diamine
CID 69091677
5-bromo-3-(5-cyclopropyl-1H-pyrazol-3-yl)pyridin-2-amine
CID 141469156
N-(naphthalen-2-ylmethyl)-1H-indazol-5-amine
CID 762796
4-[[[5-bromo-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]methyl]phenol
CID 143258960
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

Frequently Asked Questions

What is the IUPAC name of 5-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(1H-indazol-5-ylmethyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(1H-indazol-5-ylmethyl)pyrimidine-2,4-diamine (CID 71272739) is 5-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(1H-indazol-5-ylmethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(1H-indazol-5-ylmethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(1H-indazol-5-ylmethyl)pyrimidine-2,4-diamine is Nc1nc(NCc2ccc3[nH]ncc3c2)ncc1-c1cc(C2CC2)[nH]n1.
What is the InChIKey of 5-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(1H-indazol-5-ylmethyl)pyrimidine-2,4-diamine?
The InChIKey is HSTLDOMDKMTACR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N8/c19-17-13(16-6-15(25-26-16)11-2-3-11)9-21-18(23-17)20-7-10-1-4-14-12(5-10)8-22-24-14/h1,4-6,8-9,11H,2-3,7H2,(H,22,24)(H,25,26)(H3,19,20,21,23).
What are the key properties of 5-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(1H-indazol-5-ylmethyl)pyrimidine-2,4-diamine?
5-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(1H-indazol-5-ylmethyl)pyrimidine-2,4-diamine has a molecular weight of 346.40 g/mol, XLogP of 2.81, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(1H-indazol-5-ylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 71272739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).