6-chloro-2-ethyl-5-methyl-N-[(5-methylpyrazin-2-yl)methyl]pyrimidin-4-amine

C13H16ClN5 — CID 80971459

IUPAC6-chloro-2-ethyl-5-methyl-N-[(5-methylpyrazin-2-yl)methyl]pyrimidin-4-amine
SMILESCCc1nc(Cl)c(C)c(NCc2cnc(C)cn2)n1
InChIInChI=1S/C13H16ClN5/c1-4-11-18-12(14)9(3)13(19-11)17-7-10-6-15-8(2)5-16-10/h5-6H,4,7H2,1-3H3,(H,17,18,19)
InChIKeyJVXCUJZOSIMLNE-UHFFFAOYSA-N
MW277.76 g/mol
LogP2.71
Rot. Bonds4

About 6-chloro-2-ethyl-5-methyl-N-[(5-methylpyrazin-2-yl)methyl]pyrimidin-4-amine

6-chloro-2-ethyl-5-methyl-N-[(5-methylpyrazin-2-yl)methyl]pyrimidin-4-amine (PubChem CID 80971459) has the molecular formula C13H16ClN5 and a molecular weight of 277.76 g/mol. Its IUPAC name is 6-chloro-2-ethyl-5-methyl-N-[(5-methylpyrazin-2-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-ethyl-5-methyl-N-[(5-methylpyrazin-2-yl)methyl]pyrimidin-4-amine
PubChem CID80971459
Molecular FormulaC13H16ClN5
Molecular Weight277.76 g/mol
Exact Mass277.11
IUPAC Name6-chloro-2-ethyl-5-methyl-N-[(5-methylpyrazin-2-yl)methyl]pyrimidin-4-amine
SMILESCCc1nc(Cl)c(C)c(NCc2cnc(C)cn2)n1
InChIInChI=1S/C13H16ClN5/c1-4-11-18-12(14)9(3)13(19-11)17-7-10-6-15-8(2)5-16-10/h5-6H,4,7H2,1-3H3,(H,17,18,19)
InChIKeyJVXCUJZOSIMLNE-UHFFFAOYSA-N
XLogP2.71
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.76
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-2-ethyl-N-[(4-ethylphenyl)methyl]-5-methylpyrimidin-4-amine
CID 106900577
6-chloro-N,2-diethyl-5-methylpyrimidin-4-amine
CID 79557526
6-chloro-2-ethyl-5-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine
CID 103883768
6-chloro-2-ethyl-5-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine
CID 79557730
6-N-ethyl-5-methyl-4-N-[(5-methylpyrazin-2-yl)methyl]pyrimidine-4,6-diamine
CID 80825561
2-chloro-5-fluoro-N-[(5-methylpyrazin-2-yl)methyl]pyrimidin-4-amine
CID 79080911
5-chloro-N-[(5-methylpyrazin-2-yl)methyl]pyrimidin-4-amine
CID 105369387
5-chloro-4-N-[(5-methylpyrazin-2-yl)methyl]-2-N-propylpyrimidine-2,4-diamine
CID 80824616
6-chloro-2-ethyl-N-[(2-methoxy-4-pyridinyl)methyl]-5-methylpyrimidin-4-amine
CID 79556339
6-chloro-2-ethyl-N-[(4-ethylcyclohexyl)methyl]-5-methylpyrimidin-4-amine
CID 80971890
3-[[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]methyl]-4,6-dimethyl-1H-pyridin-2-one
CID 133345509
6-chloro-2-ethyl-5-methyl-N-(2,4,5-trichlorophenyl)pyrimidin-4-amine
CID 80973855

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-ethyl-5-methyl-N-[(5-methylpyrazin-2-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-ethyl-5-methyl-N-[(5-methylpyrazin-2-yl)methyl]pyrimidin-4-amine (CID 80971459) is 6-chloro-2-ethyl-5-methyl-N-[(5-methylpyrazin-2-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-ethyl-5-methyl-N-[(5-methylpyrazin-2-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-ethyl-5-methyl-N-[(5-methylpyrazin-2-yl)methyl]pyrimidin-4-amine is CCc1nc(Cl)c(C)c(NCc2cnc(C)cn2)n1.
What is the InChIKey of 6-chloro-2-ethyl-5-methyl-N-[(5-methylpyrazin-2-yl)methyl]pyrimidin-4-amine?
The InChIKey is JVXCUJZOSIMLNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN5/c1-4-11-18-12(14)9(3)13(19-11)17-7-10-6-15-8(2)5-16-10/h5-6H,4,7H2,1-3H3,(H,17,18,19).
What are the key properties of 6-chloro-2-ethyl-5-methyl-N-[(5-methylpyrazin-2-yl)methyl]pyrimidin-4-amine?
6-chloro-2-ethyl-5-methyl-N-[(5-methylpyrazin-2-yl)methyl]pyrimidin-4-amine has a molecular weight of 277.76 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-ethyl-5-methyl-N-[(5-methylpyrazin-2-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 80971459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).