2-[[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]amino]-N-ethyl-N-methylpropanamide

C13H21ClN4O2 — CID 103112929

IUPAC2-[[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]amino]-N-ethyl-N-methylpropanamide
SMILESCCOCc1nc(Cl)cc(NC(C)C(=O)N(C)CC)n1
InChIInChI=1S/C13H21ClN4O2/c1-5-18(4)13(19)9(3)15-11-7-10(14)16-12(17-11)8-20-6-2/h7,9H,5-6,8H2,1-4H3,(H,15,16,17)
InChIKeyYWKFVRUSEBKORA-UHFFFAOYSA-N
MW300.79 g/mol
LogP1.95
Rot. Bonds7

About 2-[[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]amino]-N-ethyl-N-methylpropanamide

2-[[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]amino]-N-ethyl-N-methylpropanamide (PubChem CID 103112929) has the molecular formula C13H21ClN4O2 and a molecular weight of 300.79 g/mol. Its IUPAC name is 2-[[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]amino]-N-ethyl-N-methylpropanamide.

Molecular Properties

Compound Name2-[[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]amino]-N-ethyl-N-methylpropanamide
PubChem CID103112929
Molecular FormulaC13H21ClN4O2
Molecular Weight300.79 g/mol
Exact Mass300.14
IUPAC Name2-[[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]amino]-N-ethyl-N-methylpropanamide
SMILESCCOCc1nc(Cl)cc(NC(C)C(=O)N(C)CC)n1
InChIInChI=1S/C13H21ClN4O2/c1-5-18(4)13(19)9(3)15-11-7-10(14)16-12(17-11)8-20-6-2/h7,9H,5-6,8H2,1-4H3,(H,15,16,17)
InChIKeyYWKFVRUSEBKORA-UHFFFAOYSA-N
XLogP1.95
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-but-3-yn-2-yl-6-chloro-2-(ethoxymethyl)pyrimidin-4-amine
CID 106196464
6-chloro-2-(ethoxymethyl)-N-(4,4,4-trifluorobutan-2-yl)pyrimidin-4-amine
CID 114131045
2-[[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]amino]-4-methoxybutan-1-ol
CID 114211195
2-[(6-ethoxy-2-pyridinyl)amino]-N-ethyl-N-methylpropanamide
CID 103111715
6-chloro-2-(ethoxymethyl)-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine
CID 113450725
N-[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]-N',N'-diethylethane-1,2-diamine
CID 113400798
6-chloro-2-(ethoxymethyl)-N-hex-1-yn-3-ylpyrimidin-4-amine
CID 114161658
N-ethyl-N-methyl-2-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]propanamide
CID 103114042
1-[[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]amino]-3-(dimethylamino)-2-methylpropan-2-ol
CID 106149394
2-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide
CID 80953144
2-[(2-chloro-4-pyridinyl)amino]-N-ethyl-N-methylpropanamide
CID 103112969
6-chloro-2-(ethoxymethyl)-N-[(1-propan-2-ylcyclopropyl)methyl]pyrimidin-4-amine
CID 114114416

Frequently Asked Questions

What is the IUPAC name of 2-[[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]amino]-N-ethyl-N-methylpropanamide?
The IUPAC name of 2-[[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]amino]-N-ethyl-N-methylpropanamide (CID 103112929) is 2-[[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]amino]-N-ethyl-N-methylpropanamide.
What is the SMILES notation for 2-[[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]amino]-N-ethyl-N-methylpropanamide?
The canonical SMILES for 2-[[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]amino]-N-ethyl-N-methylpropanamide is CCOCc1nc(Cl)cc(NC(C)C(=O)N(C)CC)n1.
What is the InChIKey of 2-[[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]amino]-N-ethyl-N-methylpropanamide?
The InChIKey is YWKFVRUSEBKORA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN4O2/c1-5-18(4)13(19)9(3)15-11-7-10(14)16-12(17-11)8-20-6-2/h7,9H,5-6,8H2,1-4H3,(H,15,16,17).
What are the key properties of 2-[[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]amino]-N-ethyl-N-methylpropanamide?
2-[[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]amino]-N-ethyl-N-methylpropanamide has a molecular weight of 300.79 g/mol, XLogP of 1.95, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]amino]-N-ethyl-N-methylpropanamide is sourced from PubChem (CID 103112929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).