4-methyl-N-[[(2R)-oxolan-2-yl]methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine

C17H27BN2O3 — CID 99906005

IUPAC4-methyl-N-[[(2R)-oxolan-2-yl]methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
SMILESCc1cc(NC[C@H]2CCCO2)ncc1B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C17H27BN2O3/c1-12-9-15(19-10-13-7-6-8-21-13)20-11-14(12)18-22-16(2,3)17(4,5)23-18/h9,11,13H,6-8,10H2,1-5H3,(H,19,20)/t13-/m1/s1
InChIKeyPDYRFNBDEPLLLQ-CYBMUJFWSA-N
MW318.23 g/mol
LogP2.28
Rot. Bonds4

About 4-methyl-N-[[(2R)-oxolan-2-yl]methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine

4-methyl-N-[[(2R)-oxolan-2-yl]methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine (PubChem CID 99906005) has the molecular formula C17H27BN2O3 and a molecular weight of 318.23 g/mol. Its IUPAC name is 4-methyl-N-[[(2R)-oxolan-2-yl]methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine.

Molecular Properties

Compound Name4-methyl-N-[[(2R)-oxolan-2-yl]methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
PubChem CID99906005
Molecular FormulaC17H27BN2O3
Molecular Weight318.23 g/mol
Exact Mass318.21
IUPAC Name4-methyl-N-[[(2R)-oxolan-2-yl]methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
SMILESCc1cc(NC[C@H]2CCCO2)ncc1B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C17H27BN2O3/c1-12-9-15(19-10-13-7-6-8-21-13)20-11-14(12)18-22-16(2,3)17(4,5)23-18/h9,11,13H,6-8,10H2,1-5H3,(H,19,20)/t13-/m1/s1
InChIKeyPDYRFNBDEPLLLQ-CYBMUJFWSA-N
XLogP2.28
TPSA52.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.23
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-methyl-N-[[(2R)-oxolan-2-yl]methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine with MolForge

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Related Compounds

5-methyl-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 43104324
4-methyl-5-nitro-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 79173840
4-N,6-N-bis(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112857188
5-bromo-N-[[(2R)-oxolan-2-yl]methyl]pyridin-2-amine
CID 29266636
5-bromo-N-[[(2S)-oxolan-2-yl]methyl]pyridin-2-amine
CID 29266634
5-[[(2S)-oxolan-2-yl]methylamino]pyrazine-2-carboxylic acid
CID 166243247
3-methyl-2-N-(oxolan-2-ylmethyl)pyridine-2,5-diamine
CID 62476856
6-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 23993069
3-(oxolan-2-ylmethoxy)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 172644927
6-N-(oxolan-2-ylmethyl)-4-N-(1-phenylethyl)pyrimidine-4,6-diamine
CID 112857200
4-N-cyclohexyl-6-N-(oxolan-2-ylmethyl)pyrido[3,4-d]pyrimidine-4,6-diamine
CID 72790873
6-(3,5-dimethylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)pyrimidin-4-amine
CID 50830645

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[[(2R)-oxolan-2-yl]methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?
The IUPAC name of 4-methyl-N-[[(2R)-oxolan-2-yl]methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine (CID 99906005) is 4-methyl-N-[[(2R)-oxolan-2-yl]methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine.
What is the SMILES notation for 4-methyl-N-[[(2R)-oxolan-2-yl]methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?
The canonical SMILES for 4-methyl-N-[[(2R)-oxolan-2-yl]methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine is Cc1cc(NC[C@H]2CCCO2)ncc1B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 4-methyl-N-[[(2R)-oxolan-2-yl]methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?
The InChIKey is PDYRFNBDEPLLLQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H27BN2O3/c1-12-9-15(19-10-13-7-6-8-21-13)20-11-14(12)18-22-16(2,3)17(4,5)23-18/h9,11,13H,6-8,10H2,1-5H3,(H,19,20)/t13-/m1/s1.
What are the key properties of 4-methyl-N-[[(2R)-oxolan-2-yl]methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?
4-methyl-N-[[(2R)-oxolan-2-yl]methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine has a molecular weight of 318.23 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[[(2R)-oxolan-2-yl]methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine is sourced from PubChem (CID 99906005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).