2-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]-N-ethyl-N-methylpropanamide

C11H18ClN5O — CID 103113988

IUPAC2-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]-N-ethyl-N-methylpropanamide
SMILESCCN(C)C(=O)C(C)Nc1nc(NC)ncc1Cl
InChIInChI=1S/C11H18ClN5O/c1-5-17(4)10(18)7(2)15-9-8(12)6-14-11(13-3)16-9/h6-7H,5H2,1-4H3,(H2,13,14,15,16)
InChIKeyBGEOGFSQLGOBRH-UHFFFAOYSA-N
MW271.75 g/mol
LogP1.45
Rot. Bonds5

About 2-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]-N-ethyl-N-methylpropanamide

2-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]-N-ethyl-N-methylpropanamide (PubChem CID 103113988) has the molecular formula C11H18ClN5O and a molecular weight of 271.75 g/mol. Its IUPAC name is 2-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]-N-ethyl-N-methylpropanamide.

Molecular Properties

Compound Name2-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]-N-ethyl-N-methylpropanamide
PubChem CID103113988
Molecular FormulaC11H18ClN5O
Molecular Weight271.75 g/mol
Exact Mass271.12
IUPAC Name2-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]-N-ethyl-N-methylpropanamide
SMILESCCN(C)C(=O)C(C)Nc1nc(NC)ncc1Cl
InChIInChI=1S/C11H18ClN5O/c1-5-17(4)10(18)7(2)15-9-8(12)6-14-11(13-3)16-9/h6-7H,5H2,1-4H3,(H2,13,14,15,16)
InChIKeyBGEOGFSQLGOBRH-UHFFFAOYSA-N
XLogP1.45
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3,5-dichloro-6-hydrazinyl-2-pyridinyl)amino]-N-ethyl-N-methylpropanamide
CID 103114114
2-[(2,5-dichloropyrimidin-4-yl)amino]-N,N-diethylpropanamide
CID 113408737
2-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]propanamide
CID 80786812
2-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 80778757
3-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]butan-1-ol
CID 83180608
2-[(3-amino-5-chloro-2-pyridinyl)amino]-N-ethyl-N-methylpropanamide
CID 103106676
2-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]-N-propylpropanamide
CID 80801182
N-ethyl-N-methyl-2-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]propanamide
CID 103114042
5-chloro-4-N-(4-methoxybutan-2-yl)-2-N-methylpyrimidine-2,4-diamine
CID 80844103
N-ethyl-N-methyl-2-[[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]propanamide
CID 103113889
N-ethyl-N-methyl-2-[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]propanamide
CID 103113878
N-ethyl-2-[(7-hydroxyisoquinolin-1-yl)amino]-N-methylpropanamide
CID 106540035

Frequently Asked Questions

What is the IUPAC name of 2-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]-N-ethyl-N-methylpropanamide?
The IUPAC name of 2-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]-N-ethyl-N-methylpropanamide (CID 103113988) is 2-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]-N-ethyl-N-methylpropanamide.
What is the SMILES notation for 2-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]-N-ethyl-N-methylpropanamide?
The canonical SMILES for 2-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]-N-ethyl-N-methylpropanamide is CCN(C)C(=O)C(C)Nc1nc(NC)ncc1Cl.
What is the InChIKey of 2-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]-N-ethyl-N-methylpropanamide?
The InChIKey is BGEOGFSQLGOBRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN5O/c1-5-17(4)10(18)7(2)15-9-8(12)6-14-11(13-3)16-9/h6-7H,5H2,1-4H3,(H2,13,14,15,16).
What are the key properties of 2-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]-N-ethyl-N-methylpropanamide?
2-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]-N-ethyl-N-methylpropanamide has a molecular weight of 271.75 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]-N-ethyl-N-methylpropanamide is sourced from PubChem (CID 103113988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).