2-(4,6-dimethyl-4H-pyrimidin-1-yl)-N-methylethanamine

C9H17N3 — CID 143931900

IUPAC2-(4,6-dimethyl-4H-pyrimidin-1-yl)-N-methylethanamine
SMILESCNCCN1C=NC(C)C=C1C
InChIInChI=1S/C9H17N3/c1-8-6-9(2)12(7-11-8)5-4-10-3/h6-8,10H,4-5H2,1-3H3
InChIKeyHGSVCHVUJSCHLQ-UHFFFAOYSA-N
MW167.26 g/mol
LogP0.84
Rot. Bonds3

About 2-(4,6-dimethyl-4H-pyrimidin-1-yl)-N-methylethanamine

2-(4,6-dimethyl-4H-pyrimidin-1-yl)-N-methylethanamine (PubChem CID 143931900) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is 2-(4,6-dimethyl-4H-pyrimidin-1-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(4,6-dimethyl-4H-pyrimidin-1-yl)-N-methylethanamine
PubChem CID143931900
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name2-(4,6-dimethyl-4H-pyrimidin-1-yl)-N-methylethanamine
SMILESCNCCN1C=NC(C)C=C1C
InChIInChI=1S/C9H17N3/c1-8-6-9(2)12(7-11-8)5-4-10-3/h6-8,10H,4-5H2,1-3H3
InChIKeyHGSVCHVUJSCHLQ-UHFFFAOYSA-N
XLogP0.84
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-Ethyl-1,4-dihydropyrimidine
CID 19748726
4,6-Dimethyl-1,4-dihydropyrimidine
CID 68223411
N,6-dimethyl-N-propan-2-yl-1,4-dihydropyrimidin-4-amine
CID 118973127
6-Ethyl-1,4-dihydropyrimidin-4-amine
CID 123387802
N'-ethyl-N-[(Z)-pent-2-en-2-yl]methanimidamide
CID 123627993
N'-methyl-N-[(Z)-1-piperazin-1-ylbut-2-en-2-yl]methanimidamide
CID 126706479
N'-[2-[[(3E,5Z)-7-aminoocta-1,3,5-trien-3-yl]-[2-[[(2E,4Z)-hexa-2,4-dien-3-yl]amino]ethyl]amino]ethyl]-N-[(2Z,4Z,6E)-5-ethenylnona-2,4,6,8-tetraen-4-yl]methanimidamide
CID 129180958
4-Methyl-6-propan-2-yl-1,4-dihydropyrimidine
CID 129200466
4-methyl-6-[1-(methylamino)ethyl]-1H-pyrimidin-4-amine
CID 135136164
6-(1-aminoethyl)-4-methyl-1H-pyrimidin-4-amine
CID 135136382
N-ethyl-N'-methyl-N'-[(Z)-2-(methylideneamino)hex-2-enyl]ethane-1,2-diamine
CID 138716181
4,6-Dimethyl-1,4-dihydropyrimidine;ethane
CID 144939817

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethyl-4H-pyrimidin-1-yl)-N-methylethanamine?
The IUPAC name of 2-(4,6-dimethyl-4H-pyrimidin-1-yl)-N-methylethanamine (CID 143931900) is 2-(4,6-dimethyl-4H-pyrimidin-1-yl)-N-methylethanamine.
What is the SMILES notation for 2-(4,6-dimethyl-4H-pyrimidin-1-yl)-N-methylethanamine?
The canonical SMILES for 2-(4,6-dimethyl-4H-pyrimidin-1-yl)-N-methylethanamine is CNCCN1C=NC(C)C=C1C.
What is the InChIKey of 2-(4,6-dimethyl-4H-pyrimidin-1-yl)-N-methylethanamine?
The InChIKey is HGSVCHVUJSCHLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-8-6-9(2)12(7-11-8)5-4-10-3/h6-8,10H,4-5H2,1-3H3.
What are the key properties of 2-(4,6-dimethyl-4H-pyrimidin-1-yl)-N-methylethanamine?
2-(4,6-dimethyl-4H-pyrimidin-1-yl)-N-methylethanamine has a molecular weight of 167.26 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethyl-4H-pyrimidin-1-yl)-N-methylethanamine is sourced from PubChem (CID 143931900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).