4-N,4-diethyl-6-propyl-2-N-(1,2,4-triazol-4-yl)-1H-pyrimidine-2,4-diamine

C13H23N7 — CID 150427489

IUPAC4-N,4-diethyl-6-propyl-2-N-(1,2,4-triazol-4-yl)-1H-pyrimidine-2,4-diamine
SMILESCCCC1=CC(CC)(NCC)N=C(Nn2cnnc2)N1
InChIInChI=1S/C13H23N7/c1-4-7-11-8-13(5-2,14-6-3)18-12(17-11)19-20-9-15-16-10-20/h8-10,14H,4-7H2,1-3H3,(H2,17,18,19)
InChIKeyHJBOEKVXIGJQTE-UHFFFAOYSA-N
MW277.38 g/mol
LogP1.18
Rot. Bonds6

About 4-N,4-diethyl-6-propyl-2-N-(1,2,4-triazol-4-yl)-1H-pyrimidine-2,4-diamine

4-N,4-diethyl-6-propyl-2-N-(1,2,4-triazol-4-yl)-1H-pyrimidine-2,4-diamine (PubChem CID 150427489) has the molecular formula C13H23N7 and a molecular weight of 277.38 g/mol. Its IUPAC name is 4-N,4-diethyl-6-propyl-2-N-(1,2,4-triazol-4-yl)-1H-pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N,4-diethyl-6-propyl-2-N-(1,2,4-triazol-4-yl)-1H-pyrimidine-2,4-diamine
PubChem CID150427489
Molecular FormulaC13H23N7
Molecular Weight277.38 g/mol
Exact Mass277.20
IUPAC Name4-N,4-diethyl-6-propyl-2-N-(1,2,4-triazol-4-yl)-1H-pyrimidine-2,4-diamine
SMILESCCCC1=CC(CC)(NCC)N=C(Nn2cnnc2)N1
InChIInChI=1S/C13H23N7/c1-4-7-11-8-13(5-2,14-6-3)18-12(17-11)19-20-9-15-16-10-20/h8-10,14H,4-7H2,1-3H3,(H2,17,18,19)
InChIKeyHJBOEKVXIGJQTE-UHFFFAOYSA-N
XLogP1.18
TPSA79.16 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.38
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-N,4-diethyl-6-propyl-2-N-(1,2,4-triazol-4-yl)-1H-pyrimidine-2,4-diamine?
The IUPAC name of 4-N,4-diethyl-6-propyl-2-N-(1,2,4-triazol-4-yl)-1H-pyrimidine-2,4-diamine (CID 150427489) is 4-N,4-diethyl-6-propyl-2-N-(1,2,4-triazol-4-yl)-1H-pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N,4-diethyl-6-propyl-2-N-(1,2,4-triazol-4-yl)-1H-pyrimidine-2,4-diamine?
The canonical SMILES for 4-N,4-diethyl-6-propyl-2-N-(1,2,4-triazol-4-yl)-1H-pyrimidine-2,4-diamine is CCCC1=CC(CC)(NCC)N=C(Nn2cnnc2)N1.
What is the InChIKey of 4-N,4-diethyl-6-propyl-2-N-(1,2,4-triazol-4-yl)-1H-pyrimidine-2,4-diamine?
The InChIKey is HJBOEKVXIGJQTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N7/c1-4-7-11-8-13(5-2,14-6-3)18-12(17-11)19-20-9-15-16-10-20/h8-10,14H,4-7H2,1-3H3,(H2,17,18,19).
What are the key properties of 4-N,4-diethyl-6-propyl-2-N-(1,2,4-triazol-4-yl)-1H-pyrimidine-2,4-diamine?
4-N,4-diethyl-6-propyl-2-N-(1,2,4-triazol-4-yl)-1H-pyrimidine-2,4-diamine has a molecular weight of 277.38 g/mol, XLogP of 1.18, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-diethyl-6-propyl-2-N-(1,2,4-triazol-4-yl)-1H-pyrimidine-2,4-diamine is sourced from PubChem (CID 150427489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).