ethyl 4-(methylamino)-2-[(6-morpholin-4-yl-3-pyridinyl)methyl]pyrimidine-5-carboxylate

C18H23N5O3 — CID 159140970

IUPACethyl 4-(methylamino)-2-[(6-morpholin-4-yl-3-pyridinyl)methyl]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(Cc2ccc(N3CCOCC3)nc2)nc1NC
InChIInChI=1S/C18H23N5O3/c1-3-26-18(24)14-12-20-15(22-17(14)19-2)10-13-4-5-16(21-11-13)23-6-8-25-9-7-23/h4-5,11-12H,3,6-10H2,1-2H3,(H,19,20,22)
InChIKeyPBTQWYXHJGWUAQ-UHFFFAOYSA-N
MW357.41 g/mol
LogP1.52
Rot. Bonds6

About ethyl 4-(methylamino)-2-[(6-morpholin-4-yl-3-pyridinyl)methyl]pyrimidine-5-carboxylate

ethyl 4-(methylamino)-2-[(6-morpholin-4-yl-3-pyridinyl)methyl]pyrimidine-5-carboxylate (PubChem CID 159140970) has the molecular formula C18H23N5O3 and a molecular weight of 357.41 g/mol. Its IUPAC name is ethyl 4-(methylamino)-2-[(6-morpholin-4-yl-3-pyridinyl)methyl]pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-(methylamino)-2-[(6-morpholin-4-yl-3-pyridinyl)methyl]pyrimidine-5-carboxylate
PubChem CID159140970
Molecular FormulaC18H23N5O3
Molecular Weight357.41 g/mol
Exact Mass357.18
IUPAC Nameethyl 4-(methylamino)-2-[(6-morpholin-4-yl-3-pyridinyl)methyl]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(Cc2ccc(N3CCOCC3)nc2)nc1NC
InChIInChI=1S/C18H23N5O3/c1-3-26-18(24)14-12-20-15(22-17(14)19-2)10-13-4-5-16(21-11-13)23-6-8-25-9-7-23/h4-5,11-12H,3,6-10H2,1-2H3,(H,19,20,22)
InChIKeyPBTQWYXHJGWUAQ-UHFFFAOYSA-N
XLogP1.52
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

ethyl 4-[2-[(6-morpholin-4-yl-3-pyridinyl)methyl]pyrimidin-4-yl]benzoate
CID 158655887
ethyl 2,5-dimethyl-1-(6-morpholin-4-yl-3-pyridinyl)pyrrole-3-carboxylate
CID 20930637
ethyl 4-methyl-2-morpholin-4-ylpyrimidine-5-carboxylate
CID 12662938
tert-butyl N-[(6-morpholin-4-yl-3-pyridinyl)methyl]carbamate
CID 63787976
2-methoxy-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]propanamide
CID 47303387
(6-morpholin-4-yl-3-pyridinyl)methanamine;hydrochloride
CID 44784898
3-methyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]furan-2-carboxamide
CID 18139639
methyl 4-[(6-morpholin-4-yl-3-pyridinyl)methylsulfamoyl]benzoate
CID 25469683
methyl 2-[(6-morpholin-4-yl-3-pyridinyl)methylamino]-3-phenylpropanoate
CID 67384624
ethyl 6-[4-(5-ethoxycarbonyl-2-pyridinyl)-1,4-diazepan-1-yl]pyridine-3-carboxylate
CID 32800544
2,5-dimethyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]thiophene-3-carboxamide
CID 37274285
2-amino-2-methyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]pentanamide
CID 119839515

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(methylamino)-2-[(6-morpholin-4-yl-3-pyridinyl)methyl]pyrimidine-5-carboxylate?
The IUPAC name of ethyl 4-(methylamino)-2-[(6-morpholin-4-yl-3-pyridinyl)methyl]pyrimidine-5-carboxylate (CID 159140970) is ethyl 4-(methylamino)-2-[(6-morpholin-4-yl-3-pyridinyl)methyl]pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 4-(methylamino)-2-[(6-morpholin-4-yl-3-pyridinyl)methyl]pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 4-(methylamino)-2-[(6-morpholin-4-yl-3-pyridinyl)methyl]pyrimidine-5-carboxylate is CCOC(=O)c1cnc(Cc2ccc(N3CCOCC3)nc2)nc1NC.
What is the InChIKey of ethyl 4-(methylamino)-2-[(6-morpholin-4-yl-3-pyridinyl)methyl]pyrimidine-5-carboxylate?
The InChIKey is PBTQWYXHJGWUAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3/c1-3-26-18(24)14-12-20-15(22-17(14)19-2)10-13-4-5-16(21-11-13)23-6-8-25-9-7-23/h4-5,11-12H,3,6-10H2,1-2H3,(H,19,20,22).
What are the key properties of ethyl 4-(methylamino)-2-[(6-morpholin-4-yl-3-pyridinyl)methyl]pyrimidine-5-carboxylate?
ethyl 4-(methylamino)-2-[(6-morpholin-4-yl-3-pyridinyl)methyl]pyrimidine-5-carboxylate has a molecular weight of 357.41 g/mol, XLogP of 1.52, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(methylamino)-2-[(6-morpholin-4-yl-3-pyridinyl)methyl]pyrimidine-5-carboxylate is sourced from PubChem (CID 159140970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).