4-N-methyl-2-N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]pyrimidine-2,4-diamine

C16H23N5O2 — CID 95134762

IUPAC4-N-methyl-2-N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]pyrimidine-2,4-diamine
SMILESCNc1ccnc(NC[C@@H](c2ccc(C)o2)N2CCOCC2)n1
InChIInChI=1S/C16H23N5O2/c1-12-3-4-14(23-12)13(21-7-9-22-10-8-21)11-19-16-18-6-5-15(17-2)20-16/h3-6,13H,7-11H2,1-2H3,(H2,17,18,19,20)/t13-/m0/s1
InChIKeyZCNXZRIZPMVUAE-ZDUSSCGKSA-N
MW317.39 g/mol
LogP1.91
Rot. Bonds6

About 4-N-methyl-2-N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]pyrimidine-2,4-diamine

4-N-methyl-2-N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]pyrimidine-2,4-diamine (PubChem CID 95134762) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is 4-N-methyl-2-N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-methyl-2-N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]pyrimidine-2,4-diamine
PubChem CID95134762
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC Name4-N-methyl-2-N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]pyrimidine-2,4-diamine
SMILESCNc1ccnc(NC[C@@H](c2ccc(C)o2)N2CCOCC2)n1
InChIInChI=1S/C16H23N5O2/c1-12-3-4-14(23-12)13(21-7-9-22-10-8-21)11-19-16-18-6-5-15(17-2)20-16/h3-6,13H,7-11H2,1-2H3,(H2,17,18,19,20)/t13-/m0/s1
InChIKeyZCNXZRIZPMVUAE-ZDUSSCGKSA-N
XLogP1.91
TPSA75.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-N-methyl-2-N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]pyrimidine-2,4-diamine with MolForge

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Related Compounds

4-[[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]amino]pyridine-2-carboxamide
CID 133313540
6-chloro-2-cyclopropyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]pyrimidin-4-amine
CID 133432547
2-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]propan-1-amine
CID 120509320
6-ethyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-pyridin-2-ylpyrimidin-4-amine
CID 133290389
N-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-nitropyridin-2-amine
CID 31882355
5-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 18125403
1,3-dimethyl-N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]pyrazolo[5,4-d][1,3]thiazol-5-amine
CID 97269367
methyl 6-[[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]amino]pyridazine-3-carboxylate
CID 94820145
1-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-pyridin-2-ylurea
CID 51083980
2-(methylamino)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]acetamide
CID 120703417
N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]pyridine-2-carboxamide
CID 51074519
4-N,4-N-dimethyl-2-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)pyrimidine-2,4-diamine
CID 133382668

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-2-N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-methyl-2-N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]pyrimidine-2,4-diamine (CID 95134762) is 4-N-methyl-2-N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-methyl-2-N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-methyl-2-N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]pyrimidine-2,4-diamine is CNc1ccnc(NC[C@@H](c2ccc(C)o2)N2CCOCC2)n1.
What is the InChIKey of 4-N-methyl-2-N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]pyrimidine-2,4-diamine?
The InChIKey is ZCNXZRIZPMVUAE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-12-3-4-14(23-12)13(21-7-9-22-10-8-21)11-19-16-18-6-5-15(17-2)20-16/h3-6,13H,7-11H2,1-2H3,(H2,17,18,19,20)/t13-/m0/s1.
What are the key properties of 4-N-methyl-2-N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]pyrimidine-2,4-diamine?
4-N-methyl-2-N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]pyrimidine-2,4-diamine has a molecular weight of 317.39 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-2-N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 95134762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).