6-N-(cyclopropylmethyl)-4-N-(2-propan-2-yl-4,5,6,7-tetrahydroindazol-7-yl)pyrimidine-4,6-diamine

C18H26N6 — CID 139012500

IUPAC6-N-(cyclopropylmethyl)-4-N-(2-propan-2-yl-4,5,6,7-tetrahydroindazol-7-yl)pyrimidine-4,6-diamine
SMILESCC(C)n1cc2c(n1)C(Nc1cc(NCC3CC3)ncn1)CCC2
InChIInChI=1S/C18H26N6/c1-12(2)24-10-14-4-3-5-15(18(14)23-24)22-17-8-16(20-11-21-17)19-9-13-6-7-13/h8,10-13,15H,3-7,9H2,1-2H3,(H2,19,20,21,22)
InChIKeyKQBVOURCFZYIGC-UHFFFAOYSA-N
MW326.45 g/mol
LogP3.57
Rot. Bonds6

About 6-N-(cyclopropylmethyl)-4-N-(2-propan-2-yl-4,5,6,7-tetrahydroindazol-7-yl)pyrimidine-4,6-diamine

6-N-(cyclopropylmethyl)-4-N-(2-propan-2-yl-4,5,6,7-tetrahydroindazol-7-yl)pyrimidine-4,6-diamine (PubChem CID 139012500) has the molecular formula C18H26N6 and a molecular weight of 326.45 g/mol. Its IUPAC name is 6-N-(cyclopropylmethyl)-4-N-(2-propan-2-yl-4,5,6,7-tetrahydroindazol-7-yl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-(cyclopropylmethyl)-4-N-(2-propan-2-yl-4,5,6,7-tetrahydroindazol-7-yl)pyrimidine-4,6-diamine
PubChem CID139012500
Molecular FormulaC18H26N6
Molecular Weight326.45 g/mol
Exact Mass326.22
IUPAC Name6-N-(cyclopropylmethyl)-4-N-(2-propan-2-yl-4,5,6,7-tetrahydroindazol-7-yl)pyrimidine-4,6-diamine
SMILESCC(C)n1cc2c(n1)C(Nc1cc(NCC3CC3)ncn1)CCC2
InChIInChI=1S/C18H26N6/c1-12(2)24-10-14-4-3-5-15(18(14)23-24)22-17-8-16(20-11-21-17)19-9-13-6-7-13/h8,10-13,15H,3-7,9H2,1-2H3,(H2,19,20,21,22)
InChIKeyKQBVOURCFZYIGC-UHFFFAOYSA-N
XLogP3.57
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.45
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-N-(cyclopropylmethyl)-4-N-(2-propan-2-yl-4,5,6,7-tetrahydroindazol-7-yl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-(cyclopropylmethyl)-4-N-(2-propan-2-yl-4,5,6,7-tetrahydroindazol-7-yl)pyrimidine-4,6-diamine (CID 139012500) is 6-N-(cyclopropylmethyl)-4-N-(2-propan-2-yl-4,5,6,7-tetrahydroindazol-7-yl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-(cyclopropylmethyl)-4-N-(2-propan-2-yl-4,5,6,7-tetrahydroindazol-7-yl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-(cyclopropylmethyl)-4-N-(2-propan-2-yl-4,5,6,7-tetrahydroindazol-7-yl)pyrimidine-4,6-diamine is CC(C)n1cc2c(n1)C(Nc1cc(NCC3CC3)ncn1)CCC2.
What is the InChIKey of 6-N-(cyclopropylmethyl)-4-N-(2-propan-2-yl-4,5,6,7-tetrahydroindazol-7-yl)pyrimidine-4,6-diamine?
The InChIKey is KQBVOURCFZYIGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6/c1-12(2)24-10-14-4-3-5-15(18(14)23-24)22-17-8-16(20-11-21-17)19-9-13-6-7-13/h8,10-13,15H,3-7,9H2,1-2H3,(H2,19,20,21,22).
What are the key properties of 6-N-(cyclopropylmethyl)-4-N-(2-propan-2-yl-4,5,6,7-tetrahydroindazol-7-yl)pyrimidine-4,6-diamine?
6-N-(cyclopropylmethyl)-4-N-(2-propan-2-yl-4,5,6,7-tetrahydroindazol-7-yl)pyrimidine-4,6-diamine has a molecular weight of 326.45 g/mol, XLogP of 3.57, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(cyclopropylmethyl)-4-N-(2-propan-2-yl-4,5,6,7-tetrahydroindazol-7-yl)pyrimidine-4,6-diamine is sourced from PubChem (CID 139012500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).