1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]piperidine-4-carboxylic acid

C16H25N5O3 — CID 113192684

IUPAC1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(c2cc(NCCN3CCOCC3)ncn2)CC1
InChIInChI=1S/C16H25N5O3/c22-16(23)13-1-4-21(5-2-13)15-11-14(18-12-19-15)17-3-6-20-7-9-24-10-8-20/h11-13H,1-10H2,(H,22,23)(H,17,18,19)
InChIKeyNYYZVMBXXRRGCG-UHFFFAOYSA-N
MW335.41 g/mol
LogP0.52
Rot. Bonds6

About 1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]piperidine-4-carboxylic acid

1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]piperidine-4-carboxylic acid (PubChem CID 113192684) has the molecular formula C16H25N5O3 and a molecular weight of 335.41 g/mol. Its IUPAC name is 1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]piperidine-4-carboxylic acid
PubChem CID113192684
Molecular FormulaC16H25N5O3
Molecular Weight335.41 g/mol
Exact Mass335.20
IUPAC Name1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(c2cc(NCCN3CCOCC3)ncn2)CC1
InChIInChI=1S/C16H25N5O3/c22-16(23)13-1-4-21(5-2-13)15-11-14(18-12-19-15)17-3-6-20-7-9-24-10-8-20/h11-13H,1-10H2,(H,22,23)(H,17,18,19)
InChIKeyNYYZVMBXXRRGCG-UHFFFAOYSA-N
XLogP0.52
TPSA90.82 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-morpholin-4-ylethyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112857585
1-[6-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 113192683
4-[(6-morpholin-4-ylpyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid
CID 122060204
2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethanol
CID 24880632
2-cyclopropyl-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]acetamide
CID 122327986
(4-methylpiperidin-1-yl)-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]methanone
CID 109342324
1-[6-[(2-chlorophenyl)methylamino]pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 113192699
N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]cyclopropanecarboxamide
CID 122327457
6-[2-(methylamino)imidazol-1-yl]-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine
CID 163740126
6-morpholin-4-yl-N-(2-phenylethyl)pyrimidin-4-amine
CID 112857039
1-[6-[2,6-di(propan-2-yl)anilino]pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 113192822
6-morpholin-4-yl-N-pentylpyrimidin-4-amine
CID 112857074

Frequently Asked Questions

What is the IUPAC name of 1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]piperidine-4-carboxylic acid (CID 113192684) is 1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]piperidine-4-carboxylic acid is O=C(O)C1CCN(c2cc(NCCN3CCOCC3)ncn2)CC1.
What is the InChIKey of 1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]piperidine-4-carboxylic acid?
The InChIKey is NYYZVMBXXRRGCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O3/c22-16(23)13-1-4-21(5-2-13)15-11-14(18-12-19-15)17-3-6-20-7-9-24-10-8-20/h11-13H,1-10H2,(H,22,23)(H,17,18,19).
What are the key properties of 1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]piperidine-4-carboxylic acid?
1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]piperidine-4-carboxylic acid has a molecular weight of 335.41 g/mol, XLogP of 0.52, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]piperidine-4-carboxylic acid is sourced from PubChem (CID 113192684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).