N-[3-[[6-chloro-2-(oxolan-2-yl)pyrimidin-4-yl]amino]propyl]formamide

C12H17ClN4O2 — CID 82463284

IUPACN-[3-[[6-chloro-2-(oxolan-2-yl)pyrimidin-4-yl]amino]propyl]formamide
SMILESO=CNCCCNc1cc(Cl)nc(C2CCCO2)n1
InChIInChI=1S/C12H17ClN4O2/c13-10-7-11(15-5-2-4-14-8-18)17-12(16-10)9-3-1-6-19-9/h7-9H,1-6H2,(H,14,18)(H,15,16,17)
InChIKeyBFAODCJKECCTET-UHFFFAOYSA-N
MW284.75 g/mol
LogP1.53
Rot. Bonds7

About N-[3-[[6-chloro-2-(oxolan-2-yl)pyrimidin-4-yl]amino]propyl]formamide

N-[3-[[6-chloro-2-(oxolan-2-yl)pyrimidin-4-yl]amino]propyl]formamide (PubChem CID 82463284) has the molecular formula C12H17ClN4O2 and a molecular weight of 284.75 g/mol. Its IUPAC name is N-[3-[[6-chloro-2-(oxolan-2-yl)pyrimidin-4-yl]amino]propyl]formamide.

Molecular Properties

Compound NameN-[3-[[6-chloro-2-(oxolan-2-yl)pyrimidin-4-yl]amino]propyl]formamide
PubChem CID82463284
Molecular FormulaC12H17ClN4O2
Molecular Weight284.75 g/mol
Exact Mass284.10
IUPAC NameN-[3-[[6-chloro-2-(oxolan-2-yl)pyrimidin-4-yl]amino]propyl]formamide
SMILESO=CNCCCNc1cc(Cl)nc(C2CCCO2)n1
InChIInChI=1S/C12H17ClN4O2/c13-10-7-11(15-5-2-4-14-8-18)17-12(16-10)9-3-1-6-19-9/h7-9H,1-6H2,(H,14,18)(H,15,16,17)
InChIKeyBFAODCJKECCTET-UHFFFAOYSA-N
XLogP1.53
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-butan-2-yl-6-chloro-2-(oxolan-2-yl)pyrimidin-4-amine
CID 82463293
6-(2-methylpropoxy)-2-(oxolan-2-yl)-N-pentylpyrimidin-4-amine
CID 82457782
N-(3-ethoxypropyl)-6-methoxy-2-(oxolan-2-yl)pyrimidin-4-amine
CID 82457692
4-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]butan-1-ol
CID 106842916
5-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]pentanamide
CID 114162665
3-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]propan-1-ol
CID 80953184
6-chloro-2-cyclopropyl-N-(3-cyclopropylpropyl)pyrimidin-4-amine
CID 115875632
6-tert-butyl-N-ethyl-2-(oxolan-2-yl)pyrimidin-4-amine
CID 65328095
N-ethyl-2-(oxolan-2-yl)-6-propylpyrimidin-4-amine
CID 65328938
tert-butyl N-[3-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]propyl]carbamate
CID 103880075
6-chloro-2-ethyl-N-[2-(oxolan-2-yl)ethyl]pyrimidin-4-amine
CID 80936355
N-(6-chloro-2-cyclopropylpyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 80953399

Frequently Asked Questions

What is the IUPAC name of N-[3-[[6-chloro-2-(oxolan-2-yl)pyrimidin-4-yl]amino]propyl]formamide?
The IUPAC name of N-[3-[[6-chloro-2-(oxolan-2-yl)pyrimidin-4-yl]amino]propyl]formamide (CID 82463284) is N-[3-[[6-chloro-2-(oxolan-2-yl)pyrimidin-4-yl]amino]propyl]formamide.
What is the SMILES notation for N-[3-[[6-chloro-2-(oxolan-2-yl)pyrimidin-4-yl]amino]propyl]formamide?
The canonical SMILES for N-[3-[[6-chloro-2-(oxolan-2-yl)pyrimidin-4-yl]amino]propyl]formamide is O=CNCCCNc1cc(Cl)nc(C2CCCO2)n1.
What is the InChIKey of N-[3-[[6-chloro-2-(oxolan-2-yl)pyrimidin-4-yl]amino]propyl]formamide?
The InChIKey is BFAODCJKECCTET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN4O2/c13-10-7-11(15-5-2-4-14-8-18)17-12(16-10)9-3-1-6-19-9/h7-9H,1-6H2,(H,14,18)(H,15,16,17).
What are the key properties of N-[3-[[6-chloro-2-(oxolan-2-yl)pyrimidin-4-yl]amino]propyl]formamide?
N-[3-[[6-chloro-2-(oxolan-2-yl)pyrimidin-4-yl]amino]propyl]formamide has a molecular weight of 284.75 g/mol, XLogP of 1.53, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[6-chloro-2-(oxolan-2-yl)pyrimidin-4-yl]amino]propyl]formamide is sourced from PubChem (CID 82463284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).