6-propan-2-yl-N-[3-(triazol-1-yl)propyl]pyrimidin-4-amine

C12H18N6 — CID 113412986

IUPAC6-propan-2-yl-N-[3-(triazol-1-yl)propyl]pyrimidin-4-amine
SMILESCC(C)c1cc(NCCCn2ccnn2)ncn1
InChIInChI=1S/C12H18N6/c1-10(2)11-8-12(15-9-14-11)13-4-3-6-18-7-5-16-17-18/h5,7-10H,3-4,6H2,1-2H3,(H,13,14,15)
InChIKeyWAOQLAOSRLDZCU-UHFFFAOYSA-N
MW246.32 g/mol
LogP1.69
Rot. Bonds6

About 6-propan-2-yl-N-[3-(triazol-1-yl)propyl]pyrimidin-4-amine

6-propan-2-yl-N-[3-(triazol-1-yl)propyl]pyrimidin-4-amine (PubChem CID 113412986) has the molecular formula C12H18N6 and a molecular weight of 246.32 g/mol. Its IUPAC name is 6-propan-2-yl-N-[3-(triazol-1-yl)propyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-propan-2-yl-N-[3-(triazol-1-yl)propyl]pyrimidin-4-amine
PubChem CID113412986
Molecular FormulaC12H18N6
Molecular Weight246.32 g/mol
Exact Mass246.16
IUPAC Name6-propan-2-yl-N-[3-(triazol-1-yl)propyl]pyrimidin-4-amine
SMILESCC(C)c1cc(NCCCn2ccnn2)ncn1
InChIInChI=1S/C12H18N6/c1-10(2)11-8-12(15-9-14-11)13-4-3-6-18-7-5-16-17-18/h5,7-10H,3-4,6H2,1-2H3,(H,13,14,15)
InChIKeyWAOQLAOSRLDZCU-UHFFFAOYSA-N
XLogP1.69
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.32
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-pentyl-6-propan-2-ylpyrimidin-4-amine
CID 61239397
N'-(6-propan-2-ylpyrimidin-4-yl)propane-1,3-diamine
CID 61240160
N',N'-dimethyl-N-(6-propan-2-ylpyrimidin-4-yl)propane-1,3-diamine
CID 61240740
N'-(6-propan-2-ylpyrimidin-4-yl)hexane-1,6-diamine
CID 107844656
N-pent-4-ynyl-6-propan-2-ylpyrimidin-4-amine
CID 103704412
N'-propan-2-yl-N-(6-propan-2-ylpyrimidin-4-yl)ethane-1,2-diamine
CID 62663943
N-[2-(2-methylpyrazol-3-yl)ethyl]-6-propan-2-ylpyrimidin-4-amine
CID 104696057
6-methoxy-4-N-[3-(triazol-1-yl)propyl]pyrimidine-4,5-diamine
CID 113412429
N',N'-dimethyl-N-(6-propan-2-ylpyrimidin-4-yl)ethane-1,2-diamine
CID 58337037
5-amino-2-[3-(triazol-1-yl)propylamino]pyridine-4-carboxamide
CID 114090567
2-methylsulfanyl-4-N-[3-(triazol-1-yl)propyl]pyrimidine-4,6-diamine
CID 113413349
N-[2-(3,5-difluorophenyl)ethyl]-6-propan-2-ylpyrimidin-4-amine
CID 62614721

Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yl-N-[3-(triazol-1-yl)propyl]pyrimidin-4-amine?
The IUPAC name of 6-propan-2-yl-N-[3-(triazol-1-yl)propyl]pyrimidin-4-amine (CID 113412986) is 6-propan-2-yl-N-[3-(triazol-1-yl)propyl]pyrimidin-4-amine.
What is the SMILES notation for 6-propan-2-yl-N-[3-(triazol-1-yl)propyl]pyrimidin-4-amine?
The canonical SMILES for 6-propan-2-yl-N-[3-(triazol-1-yl)propyl]pyrimidin-4-amine is CC(C)c1cc(NCCCn2ccnn2)ncn1.
What is the InChIKey of 6-propan-2-yl-N-[3-(triazol-1-yl)propyl]pyrimidin-4-amine?
The InChIKey is WAOQLAOSRLDZCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6/c1-10(2)11-8-12(15-9-14-11)13-4-3-6-18-7-5-16-17-18/h5,7-10H,3-4,6H2,1-2H3,(H,13,14,15).
What are the key properties of 6-propan-2-yl-N-[3-(triazol-1-yl)propyl]pyrimidin-4-amine?
6-propan-2-yl-N-[3-(triazol-1-yl)propyl]pyrimidin-4-amine has a molecular weight of 246.32 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-N-[3-(triazol-1-yl)propyl]pyrimidin-4-amine is sourced from PubChem (CID 113412986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).