methyl 1-[6-(4-acetylanilino)-5-aminopyrimidin-4-yl]piperidine-4-carboxylate

C19H23N5O3 — CID 19149368

IUPACmethyl 1-[6-(4-acetylanilino)-5-aminopyrimidin-4-yl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(c2ncnc(Nc3ccc(C(C)=O)cc3)c2N)CC1
InChIInChI=1S/C19H23N5O3/c1-12(25)13-3-5-15(6-4-13)23-17-16(20)18(22-11-21-17)24-9-7-14(8-10-24)19(26)27-2/h3-6,11,14H,7-10,20H2,1-2H3,(H,21,22,23)
InChIKeyLOMDEEWKVDTVRD-UHFFFAOYSA-N
MW369.43 g/mol
LogP2.39
Rot. Bonds5

About methyl 1-[6-(4-acetylanilino)-5-aminopyrimidin-4-yl]piperidine-4-carboxylate

methyl 1-[6-(4-acetylanilino)-5-aminopyrimidin-4-yl]piperidine-4-carboxylate (PubChem CID 19149368) has the molecular formula C19H23N5O3 and a molecular weight of 369.43 g/mol. Its IUPAC name is methyl 1-[6-(4-acetylanilino)-5-aminopyrimidin-4-yl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[6-(4-acetylanilino)-5-aminopyrimidin-4-yl]piperidine-4-carboxylate
PubChem CID19149368
Molecular FormulaC19H23N5O3
Molecular Weight369.43 g/mol
Exact Mass369.18
IUPAC Namemethyl 1-[6-(4-acetylanilino)-5-aminopyrimidin-4-yl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(c2ncnc(Nc3ccc(C(C)=O)cc3)c2N)CC1
InChIInChI=1S/C19H23N5O3/c1-12(25)13-3-5-15(6-4-13)23-17-16(20)18(22-11-21-17)24-9-7-14(8-10-24)19(26)27-2/h3-6,11,14H,7-10,20H2,1-2H3,(H,21,22,23)
InChIKeyLOMDEEWKVDTVRD-UHFFFAOYSA-N
XLogP2.39
TPSA110.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

1-[6-(4-acetylanilino)-5-aminopyrimidin-4-yl]piperidine-4-carboxylic acid
CID 19149383
methyl 1-[5-amino-6-(4-fluoroanilino)pyrimidin-4-yl]piperidine-4-carboxylate
CID 19149063
methyl 1-[5-amino-6-(4-iodoanilino)pyrimidin-4-yl]piperidine-4-carboxylate
CID 19148959
methyl 1-[5-amino-6-(3-chloroanilino)pyrimidin-4-yl]piperidine-4-carboxylate
CID 19148424
ethyl 1-[5-amino-6-(4-iodoanilino)pyrimidin-4-yl]piperidine-4-carboxylate
CID 19142097
methyl 1-[5-amino-6-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]piperidine-4-carboxylate
CID 19148533
methyl 1-[5-amino-6-(2,4-dichloroanilino)pyrimidin-4-yl]piperidine-4-carboxylate
CID 19149857
1-[6-(3-acetylanilino)-5-aminopyrimidin-4-yl]piperidine-4-carboxylic acid
CID 22547552
methyl 1-[5-amino-6-(propan-2-ylamino)pyrimidin-4-yl]piperidine-4-carboxylate
CID 19135716
methyl 1-[5-amino-6-[2-(4-methylbenzoyl)hydrazinyl]pyrimidin-4-yl]piperidine-4-carboxylate
CID 19150761
1-[5-amino-6-(4-methoxycarbonylpiperidin-1-yl)pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 19154022
methyl 1-[5-amino-6-(2,2-diphenylhydrazinyl)pyrimidin-4-yl]piperidine-4-carboxylate
CID 19146669

Frequently Asked Questions

What is the IUPAC name of methyl 1-[6-(4-acetylanilino)-5-aminopyrimidin-4-yl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[6-(4-acetylanilino)-5-aminopyrimidin-4-yl]piperidine-4-carboxylate (CID 19149368) is methyl 1-[6-(4-acetylanilino)-5-aminopyrimidin-4-yl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[6-(4-acetylanilino)-5-aminopyrimidin-4-yl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[6-(4-acetylanilino)-5-aminopyrimidin-4-yl]piperidine-4-carboxylate is COC(=O)C1CCN(c2ncnc(Nc3ccc(C(C)=O)cc3)c2N)CC1.
What is the InChIKey of methyl 1-[6-(4-acetylanilino)-5-aminopyrimidin-4-yl]piperidine-4-carboxylate?
The InChIKey is LOMDEEWKVDTVRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O3/c1-12(25)13-3-5-15(6-4-13)23-17-16(20)18(22-11-21-17)24-9-7-14(8-10-24)19(26)27-2/h3-6,11,14H,7-10,20H2,1-2H3,(H,21,22,23).
What are the key properties of methyl 1-[6-(4-acetylanilino)-5-aminopyrimidin-4-yl]piperidine-4-carboxylate?
methyl 1-[6-(4-acetylanilino)-5-aminopyrimidin-4-yl]piperidine-4-carboxylate has a molecular weight of 369.43 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[6-(4-acetylanilino)-5-aminopyrimidin-4-yl]piperidine-4-carboxylate is sourced from PubChem (CID 19149368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).