[4-[[5-amino-2-[(1-methylcyclobutyl)amino]pyrimidin-4-yl]amino]piperidin-1-yl] 2,2-dimethylpropanoate

C19H32N6O2 — CID 175608650

IUPAC[4-[[5-amino-2-[(1-methylcyclobutyl)amino]pyrimidin-4-yl]amino]piperidin-1-yl] 2,2-dimethylpropanoate
SMILESCC1(Nc2ncc(N)c(NC3CCN(OC(=O)C(C)(C)C)CC3)n2)CCC1
InChIInChI=1S/C19H32N6O2/c1-18(2,3)16(26)27-25-10-6-13(7-11-25)22-15-14(20)12-21-17(23-15)24-19(4)8-5-9-19/h12-13H,5-11,20H2,1-4H3,(H2,21,22,23,24)
InChIKeyUSXHIGKCYIGROY-UHFFFAOYSA-N
MW376.51 g/mol
LogP2.79
Rot. Bonds5

About [4-[[5-amino-2-[(1-methylcyclobutyl)amino]pyrimidin-4-yl]amino]piperidin-1-yl] 2,2-dimethylpropanoate

[4-[[5-amino-2-[(1-methylcyclobutyl)amino]pyrimidin-4-yl]amino]piperidin-1-yl] 2,2-dimethylpropanoate (PubChem CID 175608650) has the molecular formula C19H32N6O2 and a molecular weight of 376.51 g/mol. Its IUPAC name is [4-[[5-amino-2-[(1-methylcyclobutyl)amino]pyrimidin-4-yl]amino]piperidin-1-yl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[4-[[5-amino-2-[(1-methylcyclobutyl)amino]pyrimidin-4-yl]amino]piperidin-1-yl] 2,2-dimethylpropanoate
PubChem CID175608650
Molecular FormulaC19H32N6O2
Molecular Weight376.51 g/mol
Exact Mass376.26
IUPAC Name[4-[[5-amino-2-[(1-methylcyclobutyl)amino]pyrimidin-4-yl]amino]piperidin-1-yl] 2,2-dimethylpropanoate
SMILESCC1(Nc2ncc(N)c(NC3CCN(OC(=O)C(C)(C)C)CC3)n2)CCC1
InChIInChI=1S/C19H32N6O2/c1-18(2,3)16(26)27-25-10-6-13(7-11-25)22-15-14(20)12-21-17(23-15)24-19(4)8-5-9-19/h12-13H,5-11,20H2,1-4H3,(H2,21,22,23,24)
InChIKeyUSXHIGKCYIGROY-UHFFFAOYSA-N
XLogP2.79
TPSA105.40 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.51
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze [4-[[5-amino-2-[(1-methylcyclobutyl)amino]pyrimidin-4-yl]amino]piperidin-1-yl] 2,2-dimethylpropanoate with MolForge

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Related Compounds

4-[[(1R,3R,4R)-3-hydroxy-4-methylcyclohexyl]amino]-2-[(1-methylcyclopentyl)amino]pyrimidine-5-carboxamide
CID 71237293
3-[[5-amino-2-(tert-butylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 167147029
4-[(3-hydroxy-4,4-dimethylcyclohexyl)amino]-2-[(1-methylcyclopropyl)amino]pyrimidine-5-carboxamide
CID 71237462
4-[[2-[(4-methyloxan-4-yl)amino]-5-nitropyrimidin-4-yl]amino]piperidine-1-carboxylic acid
CID 135342259
ethyl 4-[[5-amino-2-(oxan-4-ylamino)pyrimidin-4-yl]amino]-1-methylcyclohexane-1-carboxylate
CID 126569396
4-[(3-hydroxycyclohexyl)amino]-2-[(4-methyloxan-4-yl)amino]pyrimidine-5-carboxamide
CID 78044446
tert-butyl N-[4-[[5-amino-2-(cyclopentylamino)pyrimidin-4-yl]amino]butan-2-yl]carbamate
CID 140821899
tert-butyl [4-[6-[[4-(cyclopentylamino)-5-formylpyrimidin-2-yl]amino]-3-pyridinyl]piperazin-1-yl] carbonate
CID 87616889
4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]-2-(propan-2-ylamino)pyrimidine-5-carboxylic acid
CID 175562061
4-[[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]-2-(propan-2-ylamino)pyrimidine-5-carboxylic acid
CID 171482996
[4-[6-(methylamino)-3-pyridinyl]piperidin-1-yl] 2,2-dimethylpropanoate
CID 175024040
2-[(4-ethyl-4-fluoro-1-methylcyclohexyl)amino]-4-[[(3S)-3-hydroxy-3-methylcyclohexyl]amino]pyrimidine-5-carboxamide
CID 118376122

Frequently Asked Questions

What is the IUPAC name of [4-[[5-amino-2-[(1-methylcyclobutyl)amino]pyrimidin-4-yl]amino]piperidin-1-yl] 2,2-dimethylpropanoate?
The IUPAC name of [4-[[5-amino-2-[(1-methylcyclobutyl)amino]pyrimidin-4-yl]amino]piperidin-1-yl] 2,2-dimethylpropanoate (CID 175608650) is [4-[[5-amino-2-[(1-methylcyclobutyl)amino]pyrimidin-4-yl]amino]piperidin-1-yl] 2,2-dimethylpropanoate.
What is the SMILES notation for [4-[[5-amino-2-[(1-methylcyclobutyl)amino]pyrimidin-4-yl]amino]piperidin-1-yl] 2,2-dimethylpropanoate?
The canonical SMILES for [4-[[5-amino-2-[(1-methylcyclobutyl)amino]pyrimidin-4-yl]amino]piperidin-1-yl] 2,2-dimethylpropanoate is CC1(Nc2ncc(N)c(NC3CCN(OC(=O)C(C)(C)C)CC3)n2)CCC1.
What is the InChIKey of [4-[[5-amino-2-[(1-methylcyclobutyl)amino]pyrimidin-4-yl]amino]piperidin-1-yl] 2,2-dimethylpropanoate?
The InChIKey is USXHIGKCYIGROY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N6O2/c1-18(2,3)16(26)27-25-10-6-13(7-11-25)22-15-14(20)12-21-17(23-15)24-19(4)8-5-9-19/h12-13H,5-11,20H2,1-4H3,(H2,21,22,23,24).
What are the key properties of [4-[[5-amino-2-[(1-methylcyclobutyl)amino]pyrimidin-4-yl]amino]piperidin-1-yl] 2,2-dimethylpropanoate?
[4-[[5-amino-2-[(1-methylcyclobutyl)amino]pyrimidin-4-yl]amino]piperidin-1-yl] 2,2-dimethylpropanoate has a molecular weight of 376.51 g/mol, XLogP of 2.79, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[5-amino-2-[(1-methylcyclobutyl)amino]pyrimidin-4-yl]amino]piperidin-1-yl] 2,2-dimethylpropanoate is sourced from PubChem (CID 175608650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).