tert-butyl N-[4-[[5-amino-2-(cyclopentylamino)pyrimidin-4-yl]amino]butan-2-yl]carbamate

C18H32N6O2 — CID 140821899

IUPACtert-butyl N-[4-[[5-amino-2-(cyclopentylamino)pyrimidin-4-yl]amino]butan-2-yl]carbamate
SMILESCC(CCNc1nc(NC2CCCC2)ncc1N)NC(=O)OC(C)(C)C
InChIInChI=1S/C18H32N6O2/c1-12(22-17(25)26-18(2,3)4)9-10-20-15-14(19)11-21-16(24-15)23-13-7-5-6-8-13/h11-13H,5-10,19H2,1-4H3,(H,22,25)(H2,20,21,23,24)
InChIKeyBUFVVUJHZUSCKE-UHFFFAOYSA-N
MW364.49 g/mol
LogP3.13
Rot. Bonds7

About tert-butyl N-[4-[[5-amino-2-(cyclopentylamino)pyrimidin-4-yl]amino]butan-2-yl]carbamate

tert-butyl N-[4-[[5-amino-2-(cyclopentylamino)pyrimidin-4-yl]amino]butan-2-yl]carbamate (PubChem CID 140821899) has the molecular formula C18H32N6O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is tert-butyl N-[4-[[5-amino-2-(cyclopentylamino)pyrimidin-4-yl]amino]butan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[[5-amino-2-(cyclopentylamino)pyrimidin-4-yl]amino]butan-2-yl]carbamate
PubChem CID140821899
Molecular FormulaC18H32N6O2
Molecular Weight364.49 g/mol
Exact Mass364.26
IUPAC Nametert-butyl N-[4-[[5-amino-2-(cyclopentylamino)pyrimidin-4-yl]amino]butan-2-yl]carbamate
SMILESCC(CCNc1nc(NC2CCCC2)ncc1N)NC(=O)OC(C)(C)C
InChIInChI=1S/C18H32N6O2/c1-12(22-17(25)26-18(2,3)4)9-10-20-15-14(19)11-21-16(24-15)23-13-7-5-6-8-13/h11-13H,5-10,19H2,1-4H3,(H,22,25)(H2,20,21,23,24)
InChIKeyBUFVVUJHZUSCKE-UHFFFAOYSA-N
XLogP3.13
TPSA114.19 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

tert-butyl N-[4-[(5-ethenylpyrimidin-2-yl)amino]cyclohexyl]carbamate
CID 146882600
tert-butyl N-[(2R)-4-[(4-methylpyrimidin-2-yl)amino]butan-2-yl]carbamate
CID 97214902
tert-butyl N-[4-[(4-methylcycloheptyl)amino]butan-2-yl]carbamate
CID 107246964
tert-butyl N-[2-[[3,6-bis(cyclohexylamino)-5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylcarbamoyl]pyrazine-2-carbonyl]amino]ethyl]carbamate
CID 59146546
2-(cyclohexylamino)-4-(propan-2-ylamino)pyrimidine-5-carboxamide
CID 71242271
tert-butyl N-[4-[[5-bromo-2-(butylamino)pyrimidin-4-yl]amino]cyclohexyl]carbamate
CID 140752162
tert-butyl N-[1-[(5-amino-1H-indazol-6-yl)oxy]propan-2-yl]carbamate
CID 123462031
tert-butyl N-[4-[(6-bromo-8-methylquinazolin-2-yl)amino]cyclohexyl]carbamate
CID 142489009
tert-butyl N-[(2R)-4-[(4-oxo-3H-pyrido[3,4-d]pyrimidin-8-yl)amino]butan-2-yl]carbamate
CID 137153000
ethyl 4-amino-2-(cyclohexylamino)pyrimidine-5-carboxylate
CID 25020838
tert-butyl 4-[(3-amino-5-bromo-2-pyridinyl)amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 66905116
tert-butyl N-[4-[(1-propan-2-ylazepan-4-yl)amino]butan-2-yl]carbamate
CID 107247033

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[[5-amino-2-(cyclopentylamino)pyrimidin-4-yl]amino]butan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[4-[[5-amino-2-(cyclopentylamino)pyrimidin-4-yl]amino]butan-2-yl]carbamate (CID 140821899) is tert-butyl N-[4-[[5-amino-2-(cyclopentylamino)pyrimidin-4-yl]amino]butan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[[5-amino-2-(cyclopentylamino)pyrimidin-4-yl]amino]butan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[4-[[5-amino-2-(cyclopentylamino)pyrimidin-4-yl]amino]butan-2-yl]carbamate is CC(CCNc1nc(NC2CCCC2)ncc1N)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[4-[[5-amino-2-(cyclopentylamino)pyrimidin-4-yl]amino]butan-2-yl]carbamate?
The InChIKey is BUFVVUJHZUSCKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N6O2/c1-12(22-17(25)26-18(2,3)4)9-10-20-15-14(19)11-21-16(24-15)23-13-7-5-6-8-13/h11-13H,5-10,19H2,1-4H3,(H,22,25)(H2,20,21,23,24).
What are the key properties of tert-butyl N-[4-[[5-amino-2-(cyclopentylamino)pyrimidin-4-yl]amino]butan-2-yl]carbamate?
tert-butyl N-[4-[[5-amino-2-(cyclopentylamino)pyrimidin-4-yl]amino]butan-2-yl]carbamate has a molecular weight of 364.49 g/mol, XLogP of 3.13, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[[5-amino-2-(cyclopentylamino)pyrimidin-4-yl]amino]butan-2-yl]carbamate is sourced from PubChem (CID 140821899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).