tert-butyl 4-[2-amino-5-(6-amino-3-pyridinyl)-6-methylpyrimidin-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate

C20H26N6O2 — CID 70671675

IUPACtert-butyl 4-[2-amino-5-(6-amino-3-pyridinyl)-6-methylpyrimidin-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCc1nc(N)nc(C2=CCN(C(=O)OC(C)(C)C)CC2)c1-c1ccc(N)nc1
InChIInChI=1S/C20H26N6O2/c1-12-16(14-5-6-15(21)23-11-14)17(25-18(22)24-12)13-7-9-26(10-8-13)19(27)28-20(2,3)4/h5-7,11H,8-10H2,1-4H3,(H2,21,23)(H2,22,24,25)
InChIKeyMIXMBIALAKKLNF-UHFFFAOYSA-N
MW382.47 g/mol
LogP3.04
Rot. Bonds2

About tert-butyl 4-[2-amino-5-(6-amino-3-pyridinyl)-6-methylpyrimidin-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate

tert-butyl 4-[2-amino-5-(6-amino-3-pyridinyl)-6-methylpyrimidin-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate (PubChem CID 70671675) has the molecular formula C20H26N6O2 and a molecular weight of 382.47 g/mol. Its IUPAC name is tert-butyl 4-[2-amino-5-(6-amino-3-pyridinyl)-6-methylpyrimidin-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-amino-5-(6-amino-3-pyridinyl)-6-methylpyrimidin-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
PubChem CID70671675
Molecular FormulaC20H26N6O2
Molecular Weight382.47 g/mol
Exact Mass382.21
IUPAC Nametert-butyl 4-[2-amino-5-(6-amino-3-pyridinyl)-6-methylpyrimidin-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCc1nc(N)nc(C2=CCN(C(=O)OC(C)(C)C)CC2)c1-c1ccc(N)nc1
InChIInChI=1S/C20H26N6O2/c1-12-16(14-5-6-15(21)23-11-14)17(25-18(22)24-12)13-7-9-26(10-8-13)19(27)28-20(2,3)4/h5-7,11H,8-10H2,1-4H3,(H2,21,23)(H2,22,24,25)
InChIKeyMIXMBIALAKKLNF-UHFFFAOYSA-N
XLogP3.04
TPSA120.25 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze tert-butyl 4-[2-amino-5-(6-amino-3-pyridinyl)-6-methylpyrimidin-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate with MolForge

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Related Compounds

tert-butyl 4-(4-aminophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 53415310
tert-butyl 4-(6-methoxy-3-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 154620521
tert-butyl 4-[6-[hydroxy(methyl)amino]-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 123296836
tert-butyl 4-(6-amino-5-fluoro-3-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 170340824
methyl 5-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]pyridine-2-carboxylate
CID 67125893
tert-butyl 4-(2,5-dichloropyrimidin-4-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 171627326
tert-butyl 4-pyridin-4-yl-3,6-dihydro-2H-pyridine-1-carboxylate;ethane
CID 144594549
tert-butyl 4-(5-chloropyrimidin-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 170565077
tert-butyl 5-(6-amino-3-pyridinyl)-3,4-dihydro-2H-pyridine-1-carboxylate
CID 137425775
tert-butyl 4-pyrimidin-5-yl-3,6-dihydro-2H-pyridine-1-carboxylate
CID 142573654
tert-butyl 4-(5-methyl-3-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 70915305
tert-butyl 4-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 18364827

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-amino-5-(6-amino-3-pyridinyl)-6-methylpyrimidin-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-amino-5-(6-amino-3-pyridinyl)-6-methylpyrimidin-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate (CID 70671675) is tert-butyl 4-[2-amino-5-(6-amino-3-pyridinyl)-6-methylpyrimidin-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-amino-5-(6-amino-3-pyridinyl)-6-methylpyrimidin-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-amino-5-(6-amino-3-pyridinyl)-6-methylpyrimidin-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate is Cc1nc(N)nc(C2=CCN(C(=O)OC(C)(C)C)CC2)c1-c1ccc(N)nc1.
What is the InChIKey of tert-butyl 4-[2-amino-5-(6-amino-3-pyridinyl)-6-methylpyrimidin-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is MIXMBIALAKKLNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O2/c1-12-16(14-5-6-15(21)23-11-14)17(25-18(22)24-12)13-7-9-26(10-8-13)19(27)28-20(2,3)4/h5-7,11H,8-10H2,1-4H3,(H2,21,23)(H2,22,24,25).
What are the key properties of tert-butyl 4-[2-amino-5-(6-amino-3-pyridinyl)-6-methylpyrimidin-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate?
tert-butyl 4-[2-amino-5-(6-amino-3-pyridinyl)-6-methylpyrimidin-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 382.47 g/mol, XLogP of 3.04, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-amino-5-(6-amino-3-pyridinyl)-6-methylpyrimidin-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 70671675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).