6-chloro-5-methyl-2-propan-2-yl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrimidin-4-amine

C13H19ClN6 — CID 106195112

IUPAC6-chloro-5-methyl-2-propan-2-yl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrimidin-4-amine
SMILESCc1c(Cl)nc(C(C)C)nc1NCCCc1ncn[nH]1
InChIInChI=1S/C13H19ClN6/c1-8(2)12-18-11(14)9(3)13(19-12)15-6-4-5-10-16-7-17-20-10/h7-8H,4-6H2,1-3H3,(H,15,18,19)(H,16,17,20)
InChIKeyYDAGPMYDUDCFRY-UHFFFAOYSA-N
MW294.79 g/mol
LogP2.72
Rot. Bonds6

About 6-chloro-5-methyl-2-propan-2-yl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrimidin-4-amine

6-chloro-5-methyl-2-propan-2-yl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrimidin-4-amine (PubChem CID 106195112) has the molecular formula C13H19ClN6 and a molecular weight of 294.79 g/mol. Its IUPAC name is 6-chloro-5-methyl-2-propan-2-yl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-5-methyl-2-propan-2-yl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrimidin-4-amine
PubChem CID106195112
Molecular FormulaC13H19ClN6
Molecular Weight294.79 g/mol
Exact Mass294.14
IUPAC Name6-chloro-5-methyl-2-propan-2-yl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrimidin-4-amine
SMILESCc1c(Cl)nc(C(C)C)nc1NCCCc1ncn[nH]1
InChIInChI=1S/C13H19ClN6/c1-8(2)12-18-11(14)9(3)13(19-12)15-6-4-5-10-16-7-17-20-10/h7-8H,4-6H2,1-3H3,(H,15,18,19)(H,16,17,20)
InChIKeyYDAGPMYDUDCFRY-UHFFFAOYSA-N
XLogP2.72
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.79
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-chloro-2-ethyl-5-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine
CID 103820075
4-[(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-1-ol
CID 106842904
6-chloro-N-hexyl-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80978049
N-(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)-N',N'-diethylpropane-1,3-diamine
CID 80971344
6-chloro-N-(3-ethylsulfanylpropyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 114248421
6-chloro-5-methoxy-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrimidin-4-amine
CID 106195121
6-methyl-2-propan-2-yl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine
CID 64532455
4-[2-[(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]ethyl]phenol
CID 80979409
6-chloro-5-methyl-N-(2-methylpropyl)-2-propan-2-ylpyrimidin-4-amine
CID 80970598
6-chloro-N-(2,2-dimethylpropyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80970249
6-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 106038517
6-ethoxy-5-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrimidin-4-amine
CID 66327697

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-methyl-2-propan-2-yl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrimidin-4-amine?
The IUPAC name of 6-chloro-5-methyl-2-propan-2-yl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrimidin-4-amine (CID 106195112) is 6-chloro-5-methyl-2-propan-2-yl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-5-methyl-2-propan-2-yl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-5-methyl-2-propan-2-yl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrimidin-4-amine is Cc1c(Cl)nc(C(C)C)nc1NCCCc1ncn[nH]1.
What is the InChIKey of 6-chloro-5-methyl-2-propan-2-yl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrimidin-4-amine?
The InChIKey is YDAGPMYDUDCFRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN6/c1-8(2)12-18-11(14)9(3)13(19-12)15-6-4-5-10-16-7-17-20-10/h7-8H,4-6H2,1-3H3,(H,15,18,19)(H,16,17,20).
What are the key properties of 6-chloro-5-methyl-2-propan-2-yl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrimidin-4-amine?
6-chloro-5-methyl-2-propan-2-yl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrimidin-4-amine has a molecular weight of 294.79 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-methyl-2-propan-2-yl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrimidin-4-amine is sourced from PubChem (CID 106195112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).