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

C12H18N6 — CID 64532455

IUPAC6-methyl-2-propan-2-yl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine
SMILESCc1cc(NCCc2ncn[nH]2)nc(C(C)C)n1
InChIInChI=1S/C12H18N6/c1-8(2)12-16-9(3)6-11(17-12)13-5-4-10-14-7-15-18-10/h6-8H,4-5H2,1-3H3,(H,13,16,17)(H,14,15,18)
InChIKeyFALMPXLRFUWXDE-UHFFFAOYSA-N
MW246.32 g/mol
LogP1.68
Rot. Bonds5

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

6-methyl-2-propan-2-yl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine (PubChem CID 64532455) has the molecular formula C12H18N6 and a molecular weight of 246.32 g/mol. Its IUPAC name is 6-methyl-2-propan-2-yl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-2-propan-2-yl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine
PubChem CID64532455
Molecular FormulaC12H18N6
Molecular Weight246.32 g/mol
Exact Mass246.16
IUPAC Name6-methyl-2-propan-2-yl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine
SMILESCc1cc(NCCc2ncn[nH]2)nc(C(C)C)n1
InChIInChI=1S/C12H18N6/c1-8(2)12-16-9(3)6-11(17-12)13-5-4-10-14-7-15-18-10/h6-8H,4-5H2,1-3H3,(H,13,16,17)(H,14,15,18)
InChIKeyFALMPXLRFUWXDE-UHFFFAOYSA-N
XLogP1.68
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.32
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-methyl-2-propan-2-yl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine with MolForge

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Related Compounds

6-methyl-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 43395265
3-propan-2-yl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1,2,4-thiadiazol-5-amine
CID 65274344
N-(3,3-dimethylbutyl)-6-methyl-2-propan-2-ylpyrimidin-4-amine
CID 113222606
6-chloro-2-propan-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidin-4-amine
CID 106193158
6-methyl-2-propan-2-yl-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine
CID 43395312
N',N'-dimethyl-N-(6-methyl-2-propan-2-ylpyrimidin-4-yl)ethane-1,2-diamine
CID 43395227
N-(2-ethylsulfonylethyl)-6-methyl-2-propan-2-ylpyrimidin-4-amine
CID 113257391
6-chloro-2-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-2,4-diamine
CID 104924795
6-chloro-5-methyl-2-propan-2-yl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrimidin-4-amine
CID 106195112
2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]quinolin-4-amine
CID 64530668
2,6-dimethyl-4-[2-(1H-1,2,4-triazol-5-yl)ethylamino]pyridine-3-carbonitrile
CID 81052464
6-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-propan-2-ylpyrimidin-4-amine
CID 78955267

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-propan-2-yl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine?
The IUPAC name of 6-methyl-2-propan-2-yl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine (CID 64532455) is 6-methyl-2-propan-2-yl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-methyl-2-propan-2-yl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 6-methyl-2-propan-2-yl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine is Cc1cc(NCCc2ncn[nH]2)nc(C(C)C)n1.
What is the InChIKey of 6-methyl-2-propan-2-yl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine?
The InChIKey is FALMPXLRFUWXDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6/c1-8(2)12-16-9(3)6-11(17-12)13-5-4-10-14-7-15-18-10/h6-8H,4-5H2,1-3H3,(H,13,16,17)(H,14,15,18).
What are the key properties of 6-methyl-2-propan-2-yl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine?
6-methyl-2-propan-2-yl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine has a molecular weight of 246.32 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-propan-2-yl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 64532455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).