[6-(3-methoxypropylamino)pyrimidin-4-yl]-pyrrolidin-1-ylmethanone

C13H20N4O2 — CID 109341012

IUPAC[6-(3-methoxypropylamino)pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESCOCCCNc1cc(C(=O)N2CCCC2)ncn1
InChIInChI=1S/C13H20N4O2/c1-19-8-4-5-14-12-9-11(15-10-16-12)13(18)17-6-2-3-7-17/h9-10H,2-8H2,1H3,(H,14,15,16)
InChIKeyPLLTYQOKCAOHMJ-UHFFFAOYSA-N
MW264.33 g/mol
LogP1.16
Rot. Bonds6

About [6-(3-methoxypropylamino)pyrimidin-4-yl]-pyrrolidin-1-ylmethanone

[6-(3-methoxypropylamino)pyrimidin-4-yl]-pyrrolidin-1-ylmethanone (PubChem CID 109341012) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is [6-(3-methoxypropylamino)pyrimidin-4-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[6-(3-methoxypropylamino)pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
PubChem CID109341012
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name[6-(3-methoxypropylamino)pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESCOCCCNc1cc(C(=O)N2CCCC2)ncn1
InChIInChI=1S/C13H20N4O2/c1-19-8-4-5-14-12-9-11(15-10-16-12)13(18)17-6-2-3-7-17/h9-10H,2-8H2,1H3,(H,14,15,16)
InChIKeyPLLTYQOKCAOHMJ-UHFFFAOYSA-N
XLogP1.16
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 51.16
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

azepan-1-yl-[6-(3-methoxypropylamino)-2-phenylpyrimidin-4-yl]methanone
CID 112853312
[5-(3-methoxypropylamino)-2-pyridinyl]-piperidin-1-ylmethanone
CID 109182537
1-[4-[6-(3-methoxypropylamino)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 112856840
[6-[(4-methoxyphenyl)methylamino]pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109341646
[4-(2-fluorophenyl)piperazin-1-yl]-[6-(2-methoxyethylamino)pyrimidin-4-yl]methanone
CID 109342792
N-(3-methoxypropyl)-2-(piperidine-1-carbonyl)pyridine-4-carboxamide
CID 109081193
(4-ethylpiperazin-1-yl)-[6-(3-methoxypropylamino)-2-methylpyrimidin-4-yl]methanone
CID 109364994
ethyl 4-[6-(3-methoxypropylamino)-2-methylpyrimidine-4-carbonyl]piperazine-1-carboxylate
CID 109365034
N-(4-tert-butylphenyl)-6-(3-methoxypropylamino)pyrimidine-4-carboxamide
CID 109343201
[6-(2-methoxyethylamino)pyrimidin-4-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 109342793
(4-methylpiperidin-1-yl)-[6-(propylamino)pyrimidin-4-yl]methanone
CID 109338249
6-[2-(dimethylamino)ethylamino]-N-(3-methoxypropyl)pyrimidine-4-carboxamide
CID 109343287

Frequently Asked Questions

What is the IUPAC name of [6-(3-methoxypropylamino)pyrimidin-4-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [6-(3-methoxypropylamino)pyrimidin-4-yl]-pyrrolidin-1-ylmethanone (CID 109341012) is [6-(3-methoxypropylamino)pyrimidin-4-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [6-(3-methoxypropylamino)pyrimidin-4-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [6-(3-methoxypropylamino)pyrimidin-4-yl]-pyrrolidin-1-ylmethanone is COCCCNc1cc(C(=O)N2CCCC2)ncn1.
What is the InChIKey of [6-(3-methoxypropylamino)pyrimidin-4-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is PLLTYQOKCAOHMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-19-8-4-5-14-12-9-11(15-10-16-12)13(18)17-6-2-3-7-17/h9-10H,2-8H2,1H3,(H,14,15,16).
What are the key properties of [6-(3-methoxypropylamino)pyrimidin-4-yl]-pyrrolidin-1-ylmethanone?
[6-(3-methoxypropylamino)pyrimidin-4-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 264.33 g/mol, XLogP of 1.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3-methoxypropylamino)pyrimidin-4-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 109341012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).