ethane;3-[(2-methyl-4-propan-2-yl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl)methyl]pyridin-2-amine

C18H27N5O — CID 176927865

IUPACethane;3-[(2-methyl-4-propan-2-yl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl)methyl]pyridin-2-amine
SMILESCC.Cc1nc(C(C)C)c2c(n1)N(Cc1cccnc1N)CCO2
InChIInChI=1S/C16H21N5O.C2H6/c1-10(2)13-14-16(20-11(3)19-13)21(7-8-22-14)9-12-5-4-6-18-15(12)17;1-2/h4-6,10H,7-9H2,1-3H3,(H2,17,18);1-2H3
InChIKeyFKMJIKNWIQTDIQ-UHFFFAOYSA-N
MW329.45 g/mol
LogP3.31
Rot. Bonds3

About ethane;3-[(2-methyl-4-propan-2-yl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl)methyl]pyridin-2-amine

ethane;3-[(2-methyl-4-propan-2-yl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl)methyl]pyridin-2-amine (PubChem CID 176927865) has the molecular formula C18H27N5O and a molecular weight of 329.45 g/mol. Its IUPAC name is ethane;3-[(2-methyl-4-propan-2-yl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound Nameethane;3-[(2-methyl-4-propan-2-yl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl)methyl]pyridin-2-amine
PubChem CID176927865
Molecular FormulaC18H27N5O
Molecular Weight329.45 g/mol
Exact Mass329.22
IUPAC Nameethane;3-[(2-methyl-4-propan-2-yl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl)methyl]pyridin-2-amine
SMILESCC.Cc1nc(C(C)C)c2c(n1)N(Cc1cccnc1N)CCO2
InChIInChI=1S/C16H21N5O.C2H6/c1-10(2)13-14-16(20-11(3)19-13)21(7-8-22-14)9-12-5-4-6-18-15(12)17;1-2/h4-6,10H,7-9H2,1-3H3,(H2,17,18);1-2H3
InChIKeyFKMJIKNWIQTDIQ-UHFFFAOYSA-N
XLogP3.31
TPSA77.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethane;3-[(5-methyl-4-propan-2-ylimidazol-1-yl)methyl]pyridin-2-amine
CID 176927746
3-[(4-propan-2-ylpiperazin-1-yl)methyl]pyridin-2-amine
CID 62472253
3-[[4-(1-morpholin-4-ylethyl)piperidin-1-yl]methyl]pyridin-2-amine
CID 70753604
ethane;3-[(1R)-1-(6-methyl-12-oxa-2,3,5,7,9-pentazatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-9-yl)ethyl]pyridin-2-amine
CID 178107066
3-(2-methylpropyl)pyridin-2-amine
CID 20771927
3-(pyrrolidin-1-ylmethyl)pyridin-2-amine
CID 62470567
3-[(2-propan-2-ylimidazol-1-yl)methyl]pyridin-2-amine
CID 62464912
3-[(4-butan-2-ylpiperazin-1-yl)methyl]pyridin-2-amine
CID 55116433
4,6-di(propan-2-yl)-1-(pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-3-amine;ethane;3-[(6-methyl-4-propan-2-ylpyrazolo[3,4-d]pyrimidin-1-yl)methyl]pyridin-2-amine
CID 176928010
3-(piperidin-1-ylmethyl)pyridin-2-amine
CID 18771814
4-[1-(2-amino-3-pyridinyl)ethyl]-5-methyl-6-propan-2-yl-2,3-dihydro-1,4-oxazepin-7-one
CID 176927886
3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]pyridin-2-amine
CID 62471359

Frequently Asked Questions

What is the IUPAC name of ethane;3-[(2-methyl-4-propan-2-yl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl)methyl]pyridin-2-amine?
The IUPAC name of ethane;3-[(2-methyl-4-propan-2-yl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl)methyl]pyridin-2-amine (CID 176927865) is ethane;3-[(2-methyl-4-propan-2-yl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl)methyl]pyridin-2-amine.
What is the SMILES notation for ethane;3-[(2-methyl-4-propan-2-yl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl)methyl]pyridin-2-amine?
The canonical SMILES for ethane;3-[(2-methyl-4-propan-2-yl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl)methyl]pyridin-2-amine is CC.Cc1nc(C(C)C)c2c(n1)N(Cc1cccnc1N)CCO2.
What is the InChIKey of ethane;3-[(2-methyl-4-propan-2-yl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl)methyl]pyridin-2-amine?
The InChIKey is FKMJIKNWIQTDIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O.C2H6/c1-10(2)13-14-16(20-11(3)19-13)21(7-8-22-14)9-12-5-4-6-18-15(12)17;1-2/h4-6,10H,7-9H2,1-3H3,(H2,17,18);1-2H3.
What are the key properties of ethane;3-[(2-methyl-4-propan-2-yl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl)methyl]pyridin-2-amine?
ethane;3-[(2-methyl-4-propan-2-yl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl)methyl]pyridin-2-amine has a molecular weight of 329.45 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-[(2-methyl-4-propan-2-yl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 176927865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).