[2-[3-(dimethylamino)propylamino]pyrimidin-5-yl]-(4-methylpiperidin-1-yl)methanone

C16H27N5O — CID 109250651

IUPAC[2-[3-(dimethylamino)propylamino]pyrimidin-5-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2cnc(NCCCN(C)C)nc2)CC1
InChIInChI=1S/C16H27N5O/c1-13-5-9-21(10-6-13)15(22)14-11-18-16(19-12-14)17-7-4-8-20(2)3/h11-13H,4-10H2,1-3H3,(H,17,18,19)
InChIKeyNNJCCXUAPNHYTB-UHFFFAOYSA-N
MW305.43 g/mol
LogP1.71
Rot. Bonds6

About [2-[3-(dimethylamino)propylamino]pyrimidin-5-yl]-(4-methylpiperidin-1-yl)methanone

[2-[3-(dimethylamino)propylamino]pyrimidin-5-yl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 109250651) has the molecular formula C16H27N5O and a molecular weight of 305.43 g/mol. Its IUPAC name is [2-[3-(dimethylamino)propylamino]pyrimidin-5-yl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[2-[3-(dimethylamino)propylamino]pyrimidin-5-yl]-(4-methylpiperidin-1-yl)methanone
PubChem CID109250651
Molecular FormulaC16H27N5O
Molecular Weight305.43 g/mol
Exact Mass305.22
IUPAC Name[2-[3-(dimethylamino)propylamino]pyrimidin-5-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2cnc(NCCCN(C)C)nc2)CC1
InChIInChI=1S/C16H27N5O/c1-13-5-9-21(10-6-13)15(22)14-11-18-16(19-12-14)17-7-4-8-20(2)3/h11-13H,4-10H2,1-3H3,(H,17,18,19)
InChIKeyNNJCCXUAPNHYTB-UHFFFAOYSA-N
XLogP1.71
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(4-benzylpiperidin-1-yl)-[2-[3-(dimethylamino)propylamino]pyrimidin-5-yl]methanone
CID 109253537
[2-[3-(dimethylamino)propylamino]pyrimidin-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 109253522
[2-(cycloheptylamino)pyrimidin-5-yl]-(4-methylpiperidin-1-yl)methanone
CID 109250708
N-[3-(dimethylamino)propyl]-4-(4-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 109059596
2-[3-(dimethylamino)propylamino]-N-(1,1-dioxothiolan-3-yl)-N-methylpyrimidine-5-carboxamide
CID 109253510
[2-[2-(dimethylamino)ethylamino]pyrimidin-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109252908
2-[3-(dimethylamino)propylamino]-N-propylpyrimidine-5-carboxamide
CID 109246483
2-[2-(dimethylamino)ethylamino]-N-[3-(dimethylamino)propyl]pyrimidine-5-carboxamide
CID 109252856
[2-(2-methoxyethylamino)pyrimidin-5-yl]-(3-methylpiperidin-1-yl)methanone
CID 109251557
[5-[3-(dimethylamino)propylamino]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109186144
N-cyclopentyl-2-[2-(dimethylamino)ethylamino]pyrimidine-5-carboxamide
CID 109249531
[6-[3-(dimethylamino)propylamino]-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109154259

Frequently Asked Questions

What is the IUPAC name of [2-[3-(dimethylamino)propylamino]pyrimidin-5-yl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [2-[3-(dimethylamino)propylamino]pyrimidin-5-yl]-(4-methylpiperidin-1-yl)methanone (CID 109250651) is [2-[3-(dimethylamino)propylamino]pyrimidin-5-yl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [2-[3-(dimethylamino)propylamino]pyrimidin-5-yl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [2-[3-(dimethylamino)propylamino]pyrimidin-5-yl]-(4-methylpiperidin-1-yl)methanone is CC1CCN(C(=O)c2cnc(NCCCN(C)C)nc2)CC1.
What is the InChIKey of [2-[3-(dimethylamino)propylamino]pyrimidin-5-yl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is NNJCCXUAPNHYTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O/c1-13-5-9-21(10-6-13)15(22)14-11-18-16(19-12-14)17-7-4-8-20(2)3/h11-13H,4-10H2,1-3H3,(H,17,18,19).
What are the key properties of [2-[3-(dimethylamino)propylamino]pyrimidin-5-yl]-(4-methylpiperidin-1-yl)methanone?
[2-[3-(dimethylamino)propylamino]pyrimidin-5-yl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 305.43 g/mol, XLogP of 1.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(dimethylamino)propylamino]pyrimidin-5-yl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 109250651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).