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

C11H20N6 — CID 122125625

IUPACN-[(2-ethyl-5-methyltriazol-4-yl)methyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine
SMILESCCn1nc(C)c(CNC2=NCCCN2C)n1
InChIInChI=1S/C11H20N6/c1-4-17-14-9(2)10(15-17)8-13-11-12-6-5-7-16(11)3/h4-8H2,1-3H3,(H,12,13)
InChIKeyVWYIKBHSBCEXAR-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.39
Rot. Bonds3

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

N-[(2-ethyl-5-methyltriazol-4-yl)methyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine (PubChem CID 122125625) has the molecular formula C11H20N6 and a molecular weight of 236.32 g/mol. Its IUPAC name is N-[(2-ethyl-5-methyltriazol-4-yl)methyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine.

Molecular Properties

Compound NameN-[(2-ethyl-5-methyltriazol-4-yl)methyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine
PubChem CID122125625
Molecular FormulaC11H20N6
Molecular Weight236.32 g/mol
Exact Mass236.17
IUPAC NameN-[(2-ethyl-5-methyltriazol-4-yl)methyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine
SMILESCCn1nc(C)c(CNC2=NCCCN2C)n1
InChIInChI=1S/C11H20N6/c1-4-17-14-9(2)10(15-17)8-13-11-12-6-5-7-16(11)3/h4-8H2,1-3H3,(H,12,13)
InChIKeyVWYIKBHSBCEXAR-UHFFFAOYSA-N
XLogP0.39
TPSA58.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-5-methyltriazol-4-yl)methyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine?
The IUPAC name of N-[(2-ethyl-5-methyltriazol-4-yl)methyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine (CID 122125625) is N-[(2-ethyl-5-methyltriazol-4-yl)methyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine.
What is the SMILES notation for N-[(2-ethyl-5-methyltriazol-4-yl)methyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine?
The canonical SMILES for N-[(2-ethyl-5-methyltriazol-4-yl)methyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine is CCn1nc(C)c(CNC2=NCCCN2C)n1.
What is the InChIKey of N-[(2-ethyl-5-methyltriazol-4-yl)methyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine?
The InChIKey is VWYIKBHSBCEXAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N6/c1-4-17-14-9(2)10(15-17)8-13-11-12-6-5-7-16(11)3/h4-8H2,1-3H3,(H,12,13).
What are the key properties of N-[(2-ethyl-5-methyltriazol-4-yl)methyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine?
N-[(2-ethyl-5-methyltriazol-4-yl)methyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine has a molecular weight of 236.32 g/mol, XLogP of 0.39, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-5-methyltriazol-4-yl)methyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine is sourced from PubChem (CID 122125625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).