N-(2-chloropyrimidin-4-yl)-2-(ethylamino)-2-methylpropanamide

C10H15ClN4O — CID 116795036

IUPACN-(2-chloropyrimidin-4-yl)-2-(ethylamino)-2-methylpropanamide
SMILESCCNC(C)(C)C(=O)Nc1ccnc(Cl)n1
InChIInChI=1S/C10H15ClN4O/c1-4-13-10(2,3)8(16)14-7-5-6-12-9(11)15-7/h5-6,13H,4H2,1-3H3,(H,12,14,15,16)
InChIKeyBQOOLBVJGUIDMV-UHFFFAOYSA-N
MW242.71 g/mol
LogP1.46
Rot. Bonds4

About N-(2-chloropyrimidin-4-yl)-2-(ethylamino)-2-methylpropanamide

N-(2-chloropyrimidin-4-yl)-2-(ethylamino)-2-methylpropanamide (PubChem CID 116795036) has the molecular formula C10H15ClN4O and a molecular weight of 242.71 g/mol. Its IUPAC name is N-(2-chloropyrimidin-4-yl)-2-(ethylamino)-2-methylpropanamide.

Molecular Properties

Compound NameN-(2-chloropyrimidin-4-yl)-2-(ethylamino)-2-methylpropanamide
PubChem CID116795036
Molecular FormulaC10H15ClN4O
Molecular Weight242.71 g/mol
Exact Mass242.09
IUPAC NameN-(2-chloropyrimidin-4-yl)-2-(ethylamino)-2-methylpropanamide
SMILESCCNC(C)(C)C(=O)Nc1ccnc(Cl)n1
InChIInChI=1S/C10H15ClN4O/c1-4-13-10(2,3)8(16)14-7-5-6-12-9(11)15-7/h5-6,13H,4H2,1-3H3,(H,12,14,15,16)
InChIKeyBQOOLBVJGUIDMV-UHFFFAOYSA-N
XLogP1.46
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloropyrimidin-4-yl)-2-(ethylamino)-2-methylpropanamide?
The IUPAC name of N-(2-chloropyrimidin-4-yl)-2-(ethylamino)-2-methylpropanamide (CID 116795036) is N-(2-chloropyrimidin-4-yl)-2-(ethylamino)-2-methylpropanamide.
What is the SMILES notation for N-(2-chloropyrimidin-4-yl)-2-(ethylamino)-2-methylpropanamide?
The canonical SMILES for N-(2-chloropyrimidin-4-yl)-2-(ethylamino)-2-methylpropanamide is CCNC(C)(C)C(=O)Nc1ccnc(Cl)n1.
What is the InChIKey of N-(2-chloropyrimidin-4-yl)-2-(ethylamino)-2-methylpropanamide?
The InChIKey is BQOOLBVJGUIDMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4O/c1-4-13-10(2,3)8(16)14-7-5-6-12-9(11)15-7/h5-6,13H,4H2,1-3H3,(H,12,14,15,16).
What are the key properties of N-(2-chloropyrimidin-4-yl)-2-(ethylamino)-2-methylpropanamide?
N-(2-chloropyrimidin-4-yl)-2-(ethylamino)-2-methylpropanamide has a molecular weight of 242.71 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloropyrimidin-4-yl)-2-(ethylamino)-2-methylpropanamide is sourced from PubChem (CID 116795036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).