6-[4-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]piperidin-1-yl]pyridine-3-carbonitrile

C21H28N6O — CID 133401190

IUPAC6-[4-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]piperidin-1-yl]pyridine-3-carbonitrile
SMILESCOCc1cc(NC2CCN(c3ccc(C#N)cn3)CC2)nc(C(C)(C)C)n1
InChIInChI=1S/C21H28N6O/c1-21(2,3)20-25-17(14-28-4)11-18(26-20)24-16-7-9-27(10-8-16)19-6-5-15(12-22)13-23-19/h5-6,11,13,16H,7-10,14H2,1-4H3,(H,24,25,26)
InChIKeyAKZNRZJGICQXOI-UHFFFAOYSA-N
MW380.50 g/mol
LogP3.27
Rot. Bonds5

About 6-[4-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]piperidin-1-yl]pyridine-3-carbonitrile

6-[4-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]piperidin-1-yl]pyridine-3-carbonitrile (PubChem CID 133401190) has the molecular formula C21H28N6O and a molecular weight of 380.50 g/mol. Its IUPAC name is 6-[4-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]piperidin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[4-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]piperidin-1-yl]pyridine-3-carbonitrile
PubChem CID133401190
Molecular FormulaC21H28N6O
Molecular Weight380.50 g/mol
Exact Mass380.23
IUPAC Name6-[4-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]piperidin-1-yl]pyridine-3-carbonitrile
SMILESCOCc1cc(NC2CCN(c3ccc(C#N)cn3)CC2)nc(C(C)(C)C)n1
InChIInChI=1S/C21H28N6O/c1-21(2,3)20-25-17(14-28-4)11-18(26-20)24-16-7-9-27(10-8-16)19-6-5-15(12-22)13-23-19/h5-6,11,13,16H,7-10,14H2,1-4H3,(H,24,25,26)
InChIKeyAKZNRZJGICQXOI-UHFFFAOYSA-N
XLogP3.27
TPSA86.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.50
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-[4-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]piperidin-1-yl]pyridine-3-carbonitrile with MolForge

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Related Compounds

2-tert-butyl-N-(1-cyclopentylpiperidin-4-yl)-6-(methoxymethyl)pyrimidin-4-amine
CID 133412075
6-[4-[(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile
CID 133294350
2-tert-butyl-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-6-(methoxymethyl)pyrimidin-4-amine
CID 133412333
6-[4-[(4-methoxypyrimidin-2-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile
CID 133286804
6-[4-(quinolin-2-ylamino)piperidin-1-yl]pyridine-3-carbonitrile
CID 133286840
2-tert-butyl-4-(methoxymethyl)-6-[4-(5-nitro-2-pyridinyl)piperazin-1-yl]pyrimidine
CID 133400967
6-[4-[(3,6-dimethylpyrazin-2-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile
CID 133469882
2-tert-butyl-4-(methoxymethyl)-6-(4-propan-2-ylpiperidin-1-yl)pyrimidine
CID 133402488
tert-butyl N-[1-(5-cyano-2-pyridinyl)piperidin-4-yl]carbamate
CID 50986487
6-[4-[(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile
CID 133286764
2-tert-butyl-4-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-6-(methoxymethyl)pyrimidine
CID 133400574
2-tert-butyl-4-(methoxymethyl)-6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrimidine
CID 133400462

Frequently Asked Questions

What is the IUPAC name of 6-[4-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]piperidin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 6-[4-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]piperidin-1-yl]pyridine-3-carbonitrile (CID 133401190) is 6-[4-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]piperidin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[4-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]piperidin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[4-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]piperidin-1-yl]pyridine-3-carbonitrile is COCc1cc(NC2CCN(c3ccc(C#N)cn3)CC2)nc(C(C)(C)C)n1.
What is the InChIKey of 6-[4-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]piperidin-1-yl]pyridine-3-carbonitrile?
The InChIKey is AKZNRZJGICQXOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N6O/c1-21(2,3)20-25-17(14-28-4)11-18(26-20)24-16-7-9-27(10-8-16)19-6-5-15(12-22)13-23-19/h5-6,11,13,16H,7-10,14H2,1-4H3,(H,24,25,26).
What are the key properties of 6-[4-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]piperidin-1-yl]pyridine-3-carbonitrile?
6-[4-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]piperidin-1-yl]pyridine-3-carbonitrile has a molecular weight of 380.50 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]piperidin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 133401190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).