N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-4-oxochromene-2-carboxamide

C19H21N5O3 — CID 122295406

IUPACN-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-4-oxochromene-2-carboxamide
SMILESCc1cc(N(C)C)nc(NCCNC(=O)c2cc(=O)c3ccccc3o2)n1
InChIInChI=1S/C19H21N5O3/c1-12-10-17(24(2)3)23-19(22-12)21-9-8-20-18(26)16-11-14(25)13-6-4-5-7-15(13)27-16/h4-7,10-11H,8-9H2,1-3H3,(H,20,26)(H,21,22,23)
InChIKeyKHQLKYBDHQNKDI-UHFFFAOYSA-N
MW367.41 g/mol
LogP1.80
Rot. Bonds6

About N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-4-oxochromene-2-carboxamide

N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-4-oxochromene-2-carboxamide (PubChem CID 122295406) has the molecular formula C19H21N5O3 and a molecular weight of 367.41 g/mol. Its IUPAC name is N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-4-oxochromene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-4-oxochromene-2-carboxamide
PubChem CID122295406
Molecular FormulaC19H21N5O3
Molecular Weight367.41 g/mol
Exact Mass367.16
IUPAC NameN-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-4-oxochromene-2-carboxamide
SMILESCc1cc(N(C)C)nc(NCCNC(=O)c2cc(=O)c3ccccc3o2)n1
InChIInChI=1S/C19H21N5O3/c1-12-10-17(24(2)3)23-19(22-12)21-9-8-20-18(26)16-11-14(25)13-6-4-5-7-15(13)27-16/h4-7,10-11H,8-9H2,1-3H3,(H,20,26)(H,21,22,23)
InChIKeyKHQLKYBDHQNKDI-UHFFFAOYSA-N
XLogP1.80
TPSA100.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]ethyl]-4-oxochromene-2-carboxamide
CID 122294897
N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]-4-oxochromene-2-carboxamide
CID 122295157
N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-(2-fluorophenyl)acetamide
CID 122295436
4-(dimethylamino)-N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]benzamide
CID 122295420
N-(2-aminoethyl)-4-oxochromene-2-carboxamide
CID 54880765
N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-3,5-dimethylbenzamide
CID 121075329
N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]quinoxaline-2-carboxamide
CID 122295415
N-butyl-4-oxochromene-2-carboxamide
CID 11253603
N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 122295416
3-chloro-N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]benzamide
CID 50944592
N-[[4-(dimethylamino)phenyl]methyl]-4-oxochromene-2-carboxamide
CID 17469485
N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-4-methoxybenzamide
CID 50947492

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-4-oxochromene-2-carboxamide?
The IUPAC name of N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-4-oxochromene-2-carboxamide (CID 122295406) is N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-4-oxochromene-2-carboxamide.
What is the SMILES notation for N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-4-oxochromene-2-carboxamide?
The canonical SMILES for N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-4-oxochromene-2-carboxamide is Cc1cc(N(C)C)nc(NCCNC(=O)c2cc(=O)c3ccccc3o2)n1.
What is the InChIKey of N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-4-oxochromene-2-carboxamide?
The InChIKey is KHQLKYBDHQNKDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3/c1-12-10-17(24(2)3)23-19(22-12)21-9-8-20-18(26)16-11-14(25)13-6-4-5-7-15(13)27-16/h4-7,10-11H,8-9H2,1-3H3,(H,20,26)(H,21,22,23).
What are the key properties of N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-4-oxochromene-2-carboxamide?
N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-4-oxochromene-2-carboxamide has a molecular weight of 367.41 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-4-oxochromene-2-carboxamide is sourced from PubChem (CID 122295406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).