N-(cyclopropylmethyl)-4-methyl-1,3,5-triazin-2-amine

C8H12N4 — CID 91169316

IUPACN-(cyclopropylmethyl)-4-methyl-1,3,5-triazin-2-amine
SMILESCc1ncnc(NCC2CC2)n1
InChIInChI=1S/C8H12N4/c1-6-10-5-11-8(12-6)9-4-7-2-3-7/h5,7H,2-4H2,1H3,(H,9,10,11,12)
InChIKeyUKACPXWGRMYSQH-UHFFFAOYSA-N
MW164.21 g/mol
LogP1.00
Rot. Bonds3

About N-(cyclopropylmethyl)-4-methyl-1,3,5-triazin-2-amine

N-(cyclopropylmethyl)-4-methyl-1,3,5-triazin-2-amine (PubChem CID 91169316) has the molecular formula C8H12N4 and a molecular weight of 164.21 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-4-methyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-4-methyl-1,3,5-triazin-2-amine
PubChem CID91169316
Molecular FormulaC8H12N4
Molecular Weight164.21 g/mol
Exact Mass164.11
IUPAC NameN-(cyclopropylmethyl)-4-methyl-1,3,5-triazin-2-amine
SMILESCc1ncnc(NCC2CC2)n1
InChIInChI=1S/C8H12N4/c1-6-10-5-11-8(12-6)9-4-7-2-3-7/h5,7H,2-4H2,1H3,(H,9,10,11,12)
InChIKeyUKACPXWGRMYSQH-UHFFFAOYSA-N
XLogP1.00
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-4-methyl-1,3,5-triazin-2-amine?
The IUPAC name of N-(cyclopropylmethyl)-4-methyl-1,3,5-triazin-2-amine (CID 91169316) is N-(cyclopropylmethyl)-4-methyl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-4-methyl-1,3,5-triazin-2-amine?
The canonical SMILES for N-(cyclopropylmethyl)-4-methyl-1,3,5-triazin-2-amine is Cc1ncnc(NCC2CC2)n1.
What is the InChIKey of N-(cyclopropylmethyl)-4-methyl-1,3,5-triazin-2-amine?
The InChIKey is UKACPXWGRMYSQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4/c1-6-10-5-11-8(12-6)9-4-7-2-3-7/h5,7H,2-4H2,1H3,(H,9,10,11,12).
What are the key properties of N-(cyclopropylmethyl)-4-methyl-1,3,5-triazin-2-amine?
N-(cyclopropylmethyl)-4-methyl-1,3,5-triazin-2-amine has a molecular weight of 164.21 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-4-methyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 91169316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).