4-N-methyl-6-propan-2-yloxy-4-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrimidine-2,4-diamine

C14H23N7O — CID 50952003

IUPAC4-N-methyl-6-propan-2-yloxy-4-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrimidine-2,4-diamine
SMILESCC(C)Oc1cc(N(C)Cc2nncn2C(C)C)nc(N)n1
InChIInChI=1S/C14H23N7O/c1-9(2)21-8-16-19-12(21)7-20(5)11-6-13(22-10(3)4)18-14(15)17-11/h6,8-10H,7H2,1-5H3,(H2,15,17,18)
InChIKeyCFQDBHQWNHITHB-UHFFFAOYSA-N
MW305.39 g/mol
LogP1.65
Rot. Bonds6

About 4-N-methyl-6-propan-2-yloxy-4-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrimidine-2,4-diamine

4-N-methyl-6-propan-2-yloxy-4-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrimidine-2,4-diamine (PubChem CID 50952003) has the molecular formula C14H23N7O and a molecular weight of 305.39 g/mol. Its IUPAC name is 4-N-methyl-6-propan-2-yloxy-4-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-methyl-6-propan-2-yloxy-4-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrimidine-2,4-diamine
PubChem CID50952003
Molecular FormulaC14H23N7O
Molecular Weight305.39 g/mol
Exact Mass305.20
IUPAC Name4-N-methyl-6-propan-2-yloxy-4-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrimidine-2,4-diamine
SMILESCC(C)Oc1cc(N(C)Cc2nncn2C(C)C)nc(N)n1
InChIInChI=1S/C14H23N7O/c1-9(2)21-8-16-19-12(21)7-20(5)11-6-13(22-10(3)4)18-14(15)17-11/h6,8-10H,7H2,1-5H3,(H2,15,17,18)
InChIKeyCFQDBHQWNHITHB-UHFFFAOYSA-N
XLogP1.65
TPSA94.98 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.39
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-6-propan-2-yloxy-4-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-methyl-6-propan-2-yloxy-4-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrimidine-2,4-diamine (CID 50952003) is 4-N-methyl-6-propan-2-yloxy-4-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-methyl-6-propan-2-yloxy-4-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-methyl-6-propan-2-yloxy-4-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrimidine-2,4-diamine is CC(C)Oc1cc(N(C)Cc2nncn2C(C)C)nc(N)n1.
What is the InChIKey of 4-N-methyl-6-propan-2-yloxy-4-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrimidine-2,4-diamine?
The InChIKey is CFQDBHQWNHITHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N7O/c1-9(2)21-8-16-19-12(21)7-20(5)11-6-13(22-10(3)4)18-14(15)17-11/h6,8-10H,7H2,1-5H3,(H2,15,17,18).
What are the key properties of 4-N-methyl-6-propan-2-yloxy-4-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrimidine-2,4-diamine?
4-N-methyl-6-propan-2-yloxy-4-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrimidine-2,4-diamine has a molecular weight of 305.39 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-6-propan-2-yloxy-4-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 50952003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).