4,6-dimethyl-N-[(4-methyloxan-4-yl)methyl]pyrimidin-2-amine

C13H21N3O — CID 103743092

IUPAC4,6-dimethyl-N-[(4-methyloxan-4-yl)methyl]pyrimidin-2-amine
SMILESCc1cc(C)nc(NCC2(C)CCOCC2)n1
InChIInChI=1S/C13H21N3O/c1-10-8-11(2)16-12(15-10)14-9-13(3)4-6-17-7-5-13/h8H,4-7,9H2,1-3H3,(H,14,15,16)
InChIKeyUGOQXYBQGZXNNC-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.32
Rot. Bonds3

About 4,6-dimethyl-N-[(4-methyloxan-4-yl)methyl]pyrimidin-2-amine

4,6-dimethyl-N-[(4-methyloxan-4-yl)methyl]pyrimidin-2-amine (PubChem CID 103743092) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 4,6-dimethyl-N-[(4-methyloxan-4-yl)methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4,6-dimethyl-N-[(4-methyloxan-4-yl)methyl]pyrimidin-2-amine
PubChem CID103743092
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name4,6-dimethyl-N-[(4-methyloxan-4-yl)methyl]pyrimidin-2-amine
SMILESCc1cc(C)nc(NCC2(C)CCOCC2)n1
InChIInChI=1S/C13H21N3O/c1-10-8-11(2)16-12(15-10)14-9-13(3)4-6-17-7-5-13/h8H,4-7,9H2,1-3H3,(H,14,15,16)
InChIKeyUGOQXYBQGZXNNC-UHFFFAOYSA-N
XLogP2.32
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4,6-dimethyl-N-(3-morpholin-4-ylpropyl)pyrimidin-2-amine
CID 1646798
4,6-dimethyl-N-(6-oxaspiro[4.5]decan-9-yl)pyrimidin-2-amine
CID 86769647
4,6-Dimethyl-2-[1-(oxan-4-yl)pyrrolidin-3-yl]pyrimidine
CID 110271060
4-N,4-N,6-trimethyl-2-N-(oxan-4-ylmethyl)pyrimidine-2,4-diamine
CID 145984934
N-(4,6-Dimethyl-2-pyrimidinyl)-N'-[2-(4-morpholinyl)ethyl]guanidine
CID 3145920
Pyrimidine, 2-isopentylamino-4,6-dimethyl-
CID 23423537
N'-(4,6-dimethylpyrimidin-2-yl)morpholine-4-carboximidamide
CID 591014
4,6-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine
CID 30033469
3-((4,6-dimethylpyrimidin-2-yl)amino)-N-((tetrahydro-2H-pyran-4-yl)methyl)propanamide
CID 71704957
1-[4-(Dimethylamino)-6-methylpyrimidin-2-yl]-3-(oxan-4-ylmethyl)urea
CID 121590320
N-{[1-(Methoxymethyl)cyclopentyl]methyl}-4,6-dimethylpyrimidin-2-amine
CID 122569417
4,6-dimethyl-N-[3-[(2R)-oxan-2-yl]propyl]pyrimidin-2-amine
CID 124224557

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-N-[(4-methyloxan-4-yl)methyl]pyrimidin-2-amine?
The IUPAC name of 4,6-dimethyl-N-[(4-methyloxan-4-yl)methyl]pyrimidin-2-amine (CID 103743092) is 4,6-dimethyl-N-[(4-methyloxan-4-yl)methyl]pyrimidin-2-amine.
What is the SMILES notation for 4,6-dimethyl-N-[(4-methyloxan-4-yl)methyl]pyrimidin-2-amine?
The canonical SMILES for 4,6-dimethyl-N-[(4-methyloxan-4-yl)methyl]pyrimidin-2-amine is Cc1cc(C)nc(NCC2(C)CCOCC2)n1.
What is the InChIKey of 4,6-dimethyl-N-[(4-methyloxan-4-yl)methyl]pyrimidin-2-amine?
The InChIKey is UGOQXYBQGZXNNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-10-8-11(2)16-12(15-10)14-9-13(3)4-6-17-7-5-13/h8H,4-7,9H2,1-3H3,(H,14,15,16).
What are the key properties of 4,6-dimethyl-N-[(4-methyloxan-4-yl)methyl]pyrimidin-2-amine?
4,6-dimethyl-N-[(4-methyloxan-4-yl)methyl]pyrimidin-2-amine has a molecular weight of 235.33 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-N-[(4-methyloxan-4-yl)methyl]pyrimidin-2-amine is sourced from PubChem (CID 103743092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).