2-propan-2-yl-6-(3-propyltriazol-4-yl)pyrimidin-4-amine

C12H18N6 — CID 114691180

IUPAC2-propan-2-yl-6-(3-propyltriazol-4-yl)pyrimidin-4-amine
SMILESCCCn1nncc1-c1cc(N)nc(C(C)C)n1
InChIInChI=1S/C12H18N6/c1-4-5-18-10(7-14-17-18)9-6-11(13)16-12(15-9)8(2)3/h6-8H,4-5H2,1-3H3,(H2,13,15,16)
InChIKeyUHSWYJDVNDNTPC-UHFFFAOYSA-N
MW246.32 g/mol
LogP1.85
Rot. Bonds4

About 2-propan-2-yl-6-(3-propyltriazol-4-yl)pyrimidin-4-amine

2-propan-2-yl-6-(3-propyltriazol-4-yl)pyrimidin-4-amine (PubChem CID 114691180) has the molecular formula C12H18N6 and a molecular weight of 246.32 g/mol. Its IUPAC name is 2-propan-2-yl-6-(3-propyltriazol-4-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-propan-2-yl-6-(3-propyltriazol-4-yl)pyrimidin-4-amine
PubChem CID114691180
Molecular FormulaC12H18N6
Molecular Weight246.32 g/mol
Exact Mass246.16
IUPAC Name2-propan-2-yl-6-(3-propyltriazol-4-yl)pyrimidin-4-amine
SMILESCCCn1nncc1-c1cc(N)nc(C(C)C)n1
InChIInChI=1S/C12H18N6/c1-4-5-18-10(7-14-17-18)9-6-11(13)16-12(15-9)8(2)3/h6-8H,4-5H2,1-3H3,(H2,13,15,16)
InChIKeyUHSWYJDVNDNTPC-UHFFFAOYSA-N
XLogP1.85
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.32
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-6-(3-propyltriazol-4-yl)pyrimidin-4-amine?
The IUPAC name of 2-propan-2-yl-6-(3-propyltriazol-4-yl)pyrimidin-4-amine (CID 114691180) is 2-propan-2-yl-6-(3-propyltriazol-4-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-propan-2-yl-6-(3-propyltriazol-4-yl)pyrimidin-4-amine?
The canonical SMILES for 2-propan-2-yl-6-(3-propyltriazol-4-yl)pyrimidin-4-amine is CCCn1nncc1-c1cc(N)nc(C(C)C)n1.
What is the InChIKey of 2-propan-2-yl-6-(3-propyltriazol-4-yl)pyrimidin-4-amine?
The InChIKey is UHSWYJDVNDNTPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6/c1-4-5-18-10(7-14-17-18)9-6-11(13)16-12(15-9)8(2)3/h6-8H,4-5H2,1-3H3,(H2,13,15,16).
What are the key properties of 2-propan-2-yl-6-(3-propyltriazol-4-yl)pyrimidin-4-amine?
2-propan-2-yl-6-(3-propyltriazol-4-yl)pyrimidin-4-amine has a molecular weight of 246.32 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-6-(3-propyltriazol-4-yl)pyrimidin-4-amine is sourced from PubChem (CID 114691180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).