(1S)-N-[(2-ethylpyrimidin-4-yl)methyl]-N-methyl-1-pyrimidin-4-ylethanamine

C14H19N5 — CID 99928265

IUPAC(1S)-N-[(2-ethylpyrimidin-4-yl)methyl]-N-methyl-1-pyrimidin-4-ylethanamine
SMILESCCc1nccc(CN(C)[C@@H](C)c2ccncn2)n1
InChIInChI=1S/C14H19N5/c1-4-14-16-8-5-12(18-14)9-19(3)11(2)13-6-7-15-10-17-13/h5-8,10-11H,4,9H2,1-3H3/t11-/m0/s1
InChIKeyVDCVEZHLBOUPFN-NSHDSACASA-N
MW257.34 g/mol
LogP2.02
Rot. Bonds5

About (1S)-N-[(2-ethylpyrimidin-4-yl)methyl]-N-methyl-1-pyrimidin-4-ylethanamine

(1S)-N-[(2-ethylpyrimidin-4-yl)methyl]-N-methyl-1-pyrimidin-4-ylethanamine (PubChem CID 99928265) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is (1S)-N-[(2-ethylpyrimidin-4-yl)methyl]-N-methyl-1-pyrimidin-4-ylethanamine.

Molecular Properties

Compound Name(1S)-N-[(2-ethylpyrimidin-4-yl)methyl]-N-methyl-1-pyrimidin-4-ylethanamine
PubChem CID99928265
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC Name(1S)-N-[(2-ethylpyrimidin-4-yl)methyl]-N-methyl-1-pyrimidin-4-ylethanamine
SMILESCCc1nccc(CN(C)[C@@H](C)c2ccncn2)n1
InChIInChI=1S/C14H19N5/c1-4-14-16-8-5-12(18-14)9-19(3)11(2)13-6-7-15-10-17-13/h5-8,10-11H,4,9H2,1-3H3/t11-/m0/s1
InChIKeyVDCVEZHLBOUPFN-NSHDSACASA-N
XLogP2.02
TPSA54.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(1S)-N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-methyl-1-pyrimidin-4-ylethanamine
CID 124756260
N-[[2-(furan-2-yl)phenyl]methyl]-N-methyl-1-pyrimidin-4-ylethanamine
CID 77079818
ethane;2-ethyl-4-propan-2-ylpyrimidine
CID 154681512
1-methyl-3-[[methyl-[(1S)-1-pyrimidin-4-ylethyl]amino]methyl]quinolin-2-one
CID 99946876
(E)-N-methyl-3-phenyl-N-[(1S)-1-pyrimidin-4-ylethyl]prop-2-en-1-amine
CID 99950845
N-[[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-pyrimidin-4-ylethanamine
CID 45193402
N-[(3-benzylimidazol-4-yl)methyl]-N-methyl-1-pyrimidin-4-ylethanamine
CID 91830976
N-(2-methylpropyl)-2-[methyl-[(1R)-1-pyrimidin-4-ylethyl]amino]acetamide
CID 124751056
(1S)-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-N-methyl-1-pyrimidin-4-ylethanamine
CID 99927767
(1R)-N-methyl-N-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]-1-pyrimidin-4-ylethanamine
CID 95868101
N-methyl-N-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]-1-pyrimidin-4-ylethanamine
CID 70729446
7-[[methyl(1-pyrimidin-4-ylethyl)amino]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 56711742

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(2-ethylpyrimidin-4-yl)methyl]-N-methyl-1-pyrimidin-4-ylethanamine?
The IUPAC name of (1S)-N-[(2-ethylpyrimidin-4-yl)methyl]-N-methyl-1-pyrimidin-4-ylethanamine (CID 99928265) is (1S)-N-[(2-ethylpyrimidin-4-yl)methyl]-N-methyl-1-pyrimidin-4-ylethanamine.
What is the SMILES notation for (1S)-N-[(2-ethylpyrimidin-4-yl)methyl]-N-methyl-1-pyrimidin-4-ylethanamine?
The canonical SMILES for (1S)-N-[(2-ethylpyrimidin-4-yl)methyl]-N-methyl-1-pyrimidin-4-ylethanamine is CCc1nccc(CN(C)[C@@H](C)c2ccncn2)n1.
What is the InChIKey of (1S)-N-[(2-ethylpyrimidin-4-yl)methyl]-N-methyl-1-pyrimidin-4-ylethanamine?
The InChIKey is VDCVEZHLBOUPFN-NSHDSACASA-N. The full InChI is InChI=1S/C14H19N5/c1-4-14-16-8-5-12(18-14)9-19(3)11(2)13-6-7-15-10-17-13/h5-8,10-11H,4,9H2,1-3H3/t11-/m0/s1.
What are the key properties of (1S)-N-[(2-ethylpyrimidin-4-yl)methyl]-N-methyl-1-pyrimidin-4-ylethanamine?
(1S)-N-[(2-ethylpyrimidin-4-yl)methyl]-N-methyl-1-pyrimidin-4-ylethanamine has a molecular weight of 257.34 g/mol, XLogP of 2.02, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(2-ethylpyrimidin-4-yl)methyl]-N-methyl-1-pyrimidin-4-ylethanamine is sourced from PubChem (CID 99928265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).