[2-[4-(diethylamino)-2-methylanilino]pyrimidin-4-yl]-morpholin-4-ylmethanone

C20H27N5O2 — CID 109300688

IUPAC[2-[4-(diethylamino)-2-methylanilino]pyrimidin-4-yl]-morpholin-4-ylmethanone
SMILESCCN(CC)c1ccc(Nc2nccc(C(=O)N3CCOCC3)n2)c(C)c1
InChIInChI=1S/C20H27N5O2/c1-4-24(5-2)16-6-7-17(15(3)14-16)22-20-21-9-8-18(23-20)19(26)25-10-12-27-13-11-25/h6-9,14H,4-5,10-13H2,1-3H3,(H,21,22,23)
InChIKeyKFTWYERMPSMXQZ-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.85
Rot. Bonds6

About [2-[4-(diethylamino)-2-methylanilino]pyrimidin-4-yl]-morpholin-4-ylmethanone

[2-[4-(diethylamino)-2-methylanilino]pyrimidin-4-yl]-morpholin-4-ylmethanone (PubChem CID 109300688) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is [2-[4-(diethylamino)-2-methylanilino]pyrimidin-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[2-[4-(diethylamino)-2-methylanilino]pyrimidin-4-yl]-morpholin-4-ylmethanone
PubChem CID109300688
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC Name[2-[4-(diethylamino)-2-methylanilino]pyrimidin-4-yl]-morpholin-4-ylmethanone
SMILESCCN(CC)c1ccc(Nc2nccc(C(=O)N3CCOCC3)n2)c(C)c1
InChIInChI=1S/C20H27N5O2/c1-4-24(5-2)16-6-7-17(15(3)14-16)22-20-21-9-8-18(23-20)19(26)25-10-12-27-13-11-25/h6-9,14H,4-5,10-13H2,1-3H3,(H,21,22,23)
InChIKeyKFTWYERMPSMXQZ-UHFFFAOYSA-N
XLogP2.85
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-[2-[4-(diethylamino)-2-methylanilino]pyrimidine-4-carbonyl]piperazine-1-carbaldehyde
CID 109302967
[2-[4-(diethylamino)-2-methylanilino]-4-pyridinyl]-morpholin-4-ylmethanone
CID 109167377
azepan-1-yl-[2-[4-(diethylamino)-2-methylanilino]-6-methylpyrimidin-4-yl]methanone
CID 109334514
1-[4-[2-(2,4-dimethylanilino)pyrimidine-4-carbonyl]piperazin-1-yl]ethanone
CID 109303170
N-[4-(diethylamino)-2-methylphenyl]-4-(morpholine-4-carbonyl)benzamide
CID 109045551
[2-(3-bromo-4-methylanilino)pyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109300629
[2-(2-bromoanilino)pyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109300664
[2-(4-chloro-2-methylanilino)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109302294
2-anilino-N-[4-(diethylamino)-2-methylphenyl]pyrimidine-4-carboxamide
CID 109313491
[2-(2,5-dimethylanilino)pyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109302591
2-(cyclopropylamino)-N-[4-(diethylamino)-2-methylphenyl]pyrimidine-4-carboxamide
CID 109295704
1-[3-[[4-(morpholine-4-carbonyl)pyrimidin-2-yl]amino]phenyl]ethanone
CID 109300644

Frequently Asked Questions

What is the IUPAC name of [2-[4-(diethylamino)-2-methylanilino]pyrimidin-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [2-[4-(diethylamino)-2-methylanilino]pyrimidin-4-yl]-morpholin-4-ylmethanone (CID 109300688) is [2-[4-(diethylamino)-2-methylanilino]pyrimidin-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [2-[4-(diethylamino)-2-methylanilino]pyrimidin-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [2-[4-(diethylamino)-2-methylanilino]pyrimidin-4-yl]-morpholin-4-ylmethanone is CCN(CC)c1ccc(Nc2nccc(C(=O)N3CCOCC3)n2)c(C)c1.
What is the InChIKey of [2-[4-(diethylamino)-2-methylanilino]pyrimidin-4-yl]-morpholin-4-ylmethanone?
The InChIKey is KFTWYERMPSMXQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-4-24(5-2)16-6-7-17(15(3)14-16)22-20-21-9-8-18(23-20)19(26)25-10-12-27-13-11-25/h6-9,14H,4-5,10-13H2,1-3H3,(H,21,22,23).
What are the key properties of [2-[4-(diethylamino)-2-methylanilino]pyrimidin-4-yl]-morpholin-4-ylmethanone?
[2-[4-(diethylamino)-2-methylanilino]pyrimidin-4-yl]-morpholin-4-ylmethanone has a molecular weight of 369.47 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(diethylamino)-2-methylanilino]pyrimidin-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 109300688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).