N,2-diethyl-5-methyl-6-propoxypyrimidin-4-amine

C12H21N3O — CID 80989328

IUPACN,2-diethyl-5-methyl-6-propoxypyrimidin-4-amine
SMILESCCCOc1nc(CC)nc(NCC)c1C
InChIInChI=1S/C12H21N3O/c1-5-8-16-12-9(4)11(13-7-3)14-10(6-2)15-12/h5-8H2,1-4H3,(H,13,14,15)
InChIKeyVLEBSAGVNKWEFZ-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.57
Rot. Bonds6

About N,2-diethyl-5-methyl-6-propoxypyrimidin-4-amine

N,2-diethyl-5-methyl-6-propoxypyrimidin-4-amine (PubChem CID 80989328) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is N,2-diethyl-5-methyl-6-propoxypyrimidin-4-amine.

Molecular Properties

Compound NameN,2-diethyl-5-methyl-6-propoxypyrimidin-4-amine
PubChem CID80989328
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC NameN,2-diethyl-5-methyl-6-propoxypyrimidin-4-amine
SMILESCCCOc1nc(CC)nc(NCC)c1C
InChIInChI=1S/C12H21N3O/c1-5-8-16-12-9(4)11(13-7-3)14-10(6-2)15-12/h5-8H2,1-4H3,(H,13,14,15)
InChIKeyVLEBSAGVNKWEFZ-UHFFFAOYSA-N
XLogP2.57
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-5-methyl-6-propoxy-N-propylpyrimidin-4-amine
CID 80989654
6-(2-ethoxyethoxy)-N,2-diethyl-5-methylpyrimidin-4-amine
CID 80989417
4-N,2-diethyl-6-propoxypyrimidine-4,5-diamine
CID 82455679
N,2-diethyl-6-[3-(2-methoxyethoxy)propoxy]-5-methylpyrimidin-4-amine
CID 103408396
N,2-diethyl-5-methyl-6-prop-2-enoxypyrimidin-4-amine
CID 80988312
N-ethyl-6-(3-methoxypropoxy)-5-methyl-2-propylpyrimidin-4-amine
CID 80988992
N,2-diethyl-5-methyl-6-(2,2,3,3,3-pentafluoropropoxy)pyrimidin-4-amine
CID 80989859
3-[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]oxypropan-1-ol
CID 80988731
2-cyclopropyl-N-ethyl-5-methyl-6-propoxypyrimidin-4-amine
CID 80988977
6-[3-(dimethylamino)propoxy]-N-ethyl-5-methyl-2-propylpyrimidin-4-amine
CID 80990365
6-butan-2-yloxy-N,2-diethyl-5-methylpyrimidin-4-amine
CID 80987958
5-methyl-6-(2-propoxyethoxy)-N,2-dipropylpyrimidin-4-amine
CID 80991146

Frequently Asked Questions

What is the IUPAC name of N,2-diethyl-5-methyl-6-propoxypyrimidin-4-amine?
The IUPAC name of N,2-diethyl-5-methyl-6-propoxypyrimidin-4-amine (CID 80989328) is N,2-diethyl-5-methyl-6-propoxypyrimidin-4-amine.
What is the SMILES notation for N,2-diethyl-5-methyl-6-propoxypyrimidin-4-amine?
The canonical SMILES for N,2-diethyl-5-methyl-6-propoxypyrimidin-4-amine is CCCOc1nc(CC)nc(NCC)c1C.
What is the InChIKey of N,2-diethyl-5-methyl-6-propoxypyrimidin-4-amine?
The InChIKey is VLEBSAGVNKWEFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-5-8-16-12-9(4)11(13-7-3)14-10(6-2)15-12/h5-8H2,1-4H3,(H,13,14,15).
What are the key properties of N,2-diethyl-5-methyl-6-propoxypyrimidin-4-amine?
N,2-diethyl-5-methyl-6-propoxypyrimidin-4-amine has a molecular weight of 223.32 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diethyl-5-methyl-6-propoxypyrimidin-4-amine is sourced from PubChem (CID 80989328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).