tert-butyl N-[2-[(6-chloro-2-propylpyrimidin-4-yl)amino]ethyl]carbamate

C14H23ClN4O2 — CID 114518283

IUPACtert-butyl N-[2-[(6-chloro-2-propylpyrimidin-4-yl)amino]ethyl]carbamate
SMILESCCCc1nc(Cl)cc(NCCNC(=O)OC(C)(C)C)n1
InChIInChI=1S/C14H23ClN4O2/c1-5-6-11-18-10(15)9-12(19-11)16-7-8-17-13(20)21-14(2,3)4/h9H,5-8H2,1-4H3,(H,17,20)(H,16,18,19)
InChIKeySDFHJDAIFBZHNY-UHFFFAOYSA-N
MW314.82 g/mol
LogP3.02
Rot. Bonds6

About tert-butyl N-[2-[(6-chloro-2-propylpyrimidin-4-yl)amino]ethyl]carbamate

tert-butyl N-[2-[(6-chloro-2-propylpyrimidin-4-yl)amino]ethyl]carbamate (PubChem CID 114518283) has the molecular formula C14H23ClN4O2 and a molecular weight of 314.82 g/mol. Its IUPAC name is tert-butyl N-[2-[(6-chloro-2-propylpyrimidin-4-yl)amino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(6-chloro-2-propylpyrimidin-4-yl)amino]ethyl]carbamate
PubChem CID114518283
Molecular FormulaC14H23ClN4O2
Molecular Weight314.82 g/mol
Exact Mass314.15
IUPAC Nametert-butyl N-[2-[(6-chloro-2-propylpyrimidin-4-yl)amino]ethyl]carbamate
SMILESCCCc1nc(Cl)cc(NCCNC(=O)OC(C)(C)C)n1
InChIInChI=1S/C14H23ClN4O2/c1-5-6-11-18-10(15)9-12(19-11)16-7-8-17-13(20)21-14(2,3)4/h9H,5-8H2,1-4H3,(H,17,20)(H,16,18,19)
InChIKeySDFHJDAIFBZHNY-UHFFFAOYSA-N
XLogP3.02
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.82
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]ethyl]carbamate
CID 102716232
3-[(6-chloro-2-propylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide
CID 80938791
3-[2-[(6-chloro-2-ethylpyrimidin-4-yl)amino]ethyl]-1,1-dimethylurea
CID 83113578
tert-butyl N-[3-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]propyl]carbamate
CID 103880075
3-[(6-chloro-2-propylpyrimidin-4-yl)amino]propane-1-sulfonamide
CID 80939830
N-(6-chloro-2-propylpyrimidin-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 80940887
2-[(6-amino-2-propylpyrimidin-4-yl)amino]ethylurea
CID 83118298
6-chloro-2-propyl-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine
CID 80939981
tert-butyl N-[2-[(6-ethoxy-2-pyridinyl)amino]ethyl]carbamate
CID 115735888
methyl 2-methyl-6-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]pyridine-3-carboxylate
CID 103879996
6-chloro-N-(cyclohexylmethyl)-2-propylpyrimidin-4-amine
CID 80940255
3-[(6-chloro-2-ethylpyrimidin-4-yl)amino]propanamide
CID 80936690

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(6-chloro-2-propylpyrimidin-4-yl)amino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(6-chloro-2-propylpyrimidin-4-yl)amino]ethyl]carbamate (CID 114518283) is tert-butyl N-[2-[(6-chloro-2-propylpyrimidin-4-yl)amino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(6-chloro-2-propylpyrimidin-4-yl)amino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(6-chloro-2-propylpyrimidin-4-yl)amino]ethyl]carbamate is CCCc1nc(Cl)cc(NCCNC(=O)OC(C)(C)C)n1.
What is the InChIKey of tert-butyl N-[2-[(6-chloro-2-propylpyrimidin-4-yl)amino]ethyl]carbamate?
The InChIKey is SDFHJDAIFBZHNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN4O2/c1-5-6-11-18-10(15)9-12(19-11)16-7-8-17-13(20)21-14(2,3)4/h9H,5-8H2,1-4H3,(H,17,20)(H,16,18,19).
What are the key properties of tert-butyl N-[2-[(6-chloro-2-propylpyrimidin-4-yl)amino]ethyl]carbamate?
tert-butyl N-[2-[(6-chloro-2-propylpyrimidin-4-yl)amino]ethyl]carbamate has a molecular weight of 314.82 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(6-chloro-2-propylpyrimidin-4-yl)amino]ethyl]carbamate is sourced from PubChem (CID 114518283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).