[2-(4-tert-butylanilino)pyrimidin-5-yl]-morpholin-4-ylmethanone

C19H24N4O2 — CID 109252130

IUPAC[2-(4-tert-butylanilino)pyrimidin-5-yl]-morpholin-4-ylmethanone
SMILESCC(C)(C)c1ccc(Nc2ncc(C(=O)N3CCOCC3)cn2)cc1
InChIInChI=1S/C19H24N4O2/c1-19(2,3)15-4-6-16(7-5-15)22-18-20-12-14(13-21-18)17(24)23-8-10-25-11-9-23/h4-7,12-13H,8-11H2,1-3H3,(H,20,21,22)
InChIKeyTYRHQJFGSHKXDQ-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.99
Rot. Bonds3

About [2-(4-tert-butylanilino)pyrimidin-5-yl]-morpholin-4-ylmethanone

[2-(4-tert-butylanilino)pyrimidin-5-yl]-morpholin-4-ylmethanone (PubChem CID 109252130) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is [2-(4-tert-butylanilino)pyrimidin-5-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[2-(4-tert-butylanilino)pyrimidin-5-yl]-morpholin-4-ylmethanone
PubChem CID109252130
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name[2-(4-tert-butylanilino)pyrimidin-5-yl]-morpholin-4-ylmethanone
SMILESCC(C)(C)c1ccc(Nc2ncc(C(=O)N3CCOCC3)cn2)cc1
InChIInChI=1S/C19H24N4O2/c1-19(2,3)15-4-6-16(7-5-15)22-18-20-12-14(13-21-18)17(24)23-8-10-25-11-9-23/h4-7,12-13H,8-11H2,1-3H3,(H,20,21,22)
InChIKeyTYRHQJFGSHKXDQ-UHFFFAOYSA-N
XLogP2.99
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[[5-(morpholine-4-carbonyl)pyrimidin-2-yl]amino]benzoate
CID 109252166
1-[3-[[5-(morpholine-4-carbonyl)pyrimidin-2-yl]amino]phenyl]ethanone
CID 109252160
1-[4-[2-(4-methylanilino)pyrimidine-5-carbonyl]piperazin-1-yl]ethanone
CID 109254658
[2-[2-chloro-5-(trifluoromethyl)anilino]pyrimidin-5-yl]-morpholin-4-ylmethanone
CID 109252168
[2-(4-piperidin-1-ylanilino)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone
CID 109249351
[6-(4-tert-butylanilino)-3-pyridinyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 109160057
[2-(4-fluoroanilino)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone
CID 109249311
[2-(4-methoxyanilino)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone
CID 109249327
[4-(dimethylamino)piperidin-1-yl]-[2-[4-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)anilino]pyrimidin-5-yl]methanone
CID 166636063
azepan-1-yl-[2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-5-yl]methanone
CID 109264917
(4-methylpiperazin-1-yl)-[2-(4-piperidin-1-ylanilino)pyrimidin-5-yl]methanone
CID 109253781
morpholin-4-yl-[2-(2-morpholin-4-ylethylamino)pyrimidin-5-yl]methanone
CID 109252034

Frequently Asked Questions

What is the IUPAC name of [2-(4-tert-butylanilino)pyrimidin-5-yl]-morpholin-4-ylmethanone?
The IUPAC name of [2-(4-tert-butylanilino)pyrimidin-5-yl]-morpholin-4-ylmethanone (CID 109252130) is [2-(4-tert-butylanilino)pyrimidin-5-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [2-(4-tert-butylanilino)pyrimidin-5-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [2-(4-tert-butylanilino)pyrimidin-5-yl]-morpholin-4-ylmethanone is CC(C)(C)c1ccc(Nc2ncc(C(=O)N3CCOCC3)cn2)cc1.
What is the InChIKey of [2-(4-tert-butylanilino)pyrimidin-5-yl]-morpholin-4-ylmethanone?
The InChIKey is TYRHQJFGSHKXDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-19(2,3)15-4-6-16(7-5-15)22-18-20-12-14(13-21-18)17(24)23-8-10-25-11-9-23/h4-7,12-13H,8-11H2,1-3H3,(H,20,21,22).
What are the key properties of [2-(4-tert-butylanilino)pyrimidin-5-yl]-morpholin-4-ylmethanone?
[2-(4-tert-butylanilino)pyrimidin-5-yl]-morpholin-4-ylmethanone has a molecular weight of 340.43 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-tert-butylanilino)pyrimidin-5-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 109252130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).