(4-methylpiperidin-1-yl)-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]methanone

C17H27N5O2 — CID 109342324

IUPAC(4-methylpiperidin-1-yl)-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]methanone
SMILESCC1CCN(C(=O)c2cc(NCCN3CCOCC3)ncn2)CC1
InChIInChI=1S/C17H27N5O2/c1-14-2-5-22(6-3-14)17(23)15-12-16(20-13-19-15)18-4-7-21-8-10-24-11-9-21/h12-14H,2-11H2,1H3,(H,18,19,20)
InChIKeyQPOQKSOWBXVYQP-UHFFFAOYSA-N
MW333.44 g/mol
LogP1.09
Rot. Bonds5

About (4-methylpiperidin-1-yl)-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]methanone

(4-methylpiperidin-1-yl)-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]methanone (PubChem CID 109342324) has the molecular formula C17H27N5O2 and a molecular weight of 333.44 g/mol. Its IUPAC name is (4-methylpiperidin-1-yl)-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]methanone.

Molecular Properties

Compound Name(4-methylpiperidin-1-yl)-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]methanone
PubChem CID109342324
Molecular FormulaC17H27N5O2
Molecular Weight333.44 g/mol
Exact Mass333.22
IUPAC Name(4-methylpiperidin-1-yl)-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]methanone
SMILESCC1CCN(C(=O)c2cc(NCCN3CCOCC3)ncn2)CC1
InChIInChI=1S/C17H27N5O2/c1-14-2-5-22(6-3-14)17(23)15-12-16(20-13-19-15)18-4-7-21-8-10-24-11-9-21/h12-14H,2-11H2,1H3,(H,18,19,20)
InChIKeyQPOQKSOWBXVYQP-UHFFFAOYSA-N
XLogP1.09
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (4-methylpiperidin-1-yl)-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]methanone with MolForge

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Related Compounds

N-[(2S)-2-hydroxy-3-piperidin-1-ylpropyl]-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide
CID 91667431
2-chloro-N-(cyclopropylmethyl)-6-morpholinopyrimidine-4-carboxamide
CID 145998144
N-(2-methoxyethyl)-2-piperidin-1-yl-6-propan-2-ylpyrimidine-4-carboxamide
CID 71830615
2-cyclopropyl-N-[1-(1-morpholin-4-ylcyclopentyl)ethyl]pyrimidine-4-carboxamide
CID 71980130
Ethyl 1-[2-methyl-6-(piperidine-1-carbonyl)pyrimidin-4-yl]piperidine-4-carboxylate
CID 75361098
[2-Methyl-6-(propylamino)pyrimidin-4-yl]-morpholin-4-ylmethanone
CID 75538768
[6-(2-Methoxyethylamino)-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone
CID 75538798
1-[2-Methyl-6-(morpholine-4-carbonyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 75538833
Ethyl 1-[2-methyl-6-(morpholine-4-carbonyl)pyrimidin-4-yl]piperidine-4-carboxylate
CID 75538838
N-(2-methoxyethyl)-6-methyl-2-(1-methylpiperidin-4-yl)pyrimidine-4-carboxamide
CID 95825823
6-(dimethylamino)-N-ethyl-2-methoxypyrimidine-4-carboxamide
CID 122180008
N-(cyclopropylmethyl)-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 162650117

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperidin-1-yl)-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]methanone?
The IUPAC name of (4-methylpiperidin-1-yl)-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]methanone (CID 109342324) is (4-methylpiperidin-1-yl)-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]methanone.
What is the SMILES notation for (4-methylpiperidin-1-yl)-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]methanone?
The canonical SMILES for (4-methylpiperidin-1-yl)-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]methanone is CC1CCN(C(=O)c2cc(NCCN3CCOCC3)ncn2)CC1.
What is the InChIKey of (4-methylpiperidin-1-yl)-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]methanone?
The InChIKey is QPOQKSOWBXVYQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O2/c1-14-2-5-22(6-3-14)17(23)15-12-16(20-13-19-15)18-4-7-21-8-10-24-11-9-21/h12-14H,2-11H2,1H3,(H,18,19,20).
What are the key properties of (4-methylpiperidin-1-yl)-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]methanone?
(4-methylpiperidin-1-yl)-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]methanone has a molecular weight of 333.44 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperidin-1-yl)-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]methanone is sourced from PubChem (CID 109342324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).