5-methyl-N-(2-pentan-3-yloxan-4-yl)pyrimidin-2-amine

C15H25N3O — CID 133461839

IUPAC5-methyl-N-(2-pentan-3-yloxan-4-yl)pyrimidin-2-amine
SMILESCCC(CC)C1CC(Nc2ncc(C)cn2)CCO1
InChIInChI=1S/C15H25N3O/c1-4-12(5-2)14-8-13(6-7-19-14)18-15-16-9-11(3)10-17-15/h9-10,12-14H,4-8H2,1-3H3,(H,16,17,18)
InChIKeyKJNUOGMUERWXHR-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.18
Rot. Bonds5

About 5-methyl-N-(2-pentan-3-yloxan-4-yl)pyrimidin-2-amine

5-methyl-N-(2-pentan-3-yloxan-4-yl)pyrimidin-2-amine (PubChem CID 133461839) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 5-methyl-N-(2-pentan-3-yloxan-4-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-methyl-N-(2-pentan-3-yloxan-4-yl)pyrimidin-2-amine
PubChem CID133461839
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name5-methyl-N-(2-pentan-3-yloxan-4-yl)pyrimidin-2-amine
SMILESCCC(CC)C1CC(Nc2ncc(C)cn2)CCO1
InChIInChI=1S/C15H25N3O/c1-4-12(5-2)14-8-13(6-7-19-14)18-15-16-9-11(3)10-17-15/h9-10,12-14H,4-8H2,1-3H3,(H,16,17,18)
InChIKeyKJNUOGMUERWXHR-UHFFFAOYSA-N
XLogP3.18
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-(2-pentan-3-yloxan-4-yl)pyrimidin-2-amine
CID 133440380
5-nitro-2-N-(2-pentan-3-yloxan-4-yl)pyrimidine-2,4-diamine
CID 133441656
5-bromo-N-(2-pentan-3-yloxan-4-yl)pyridin-2-amine
CID 133440407
4-methoxy-N-(2-pentan-3-yloxan-4-yl)pyrimidin-2-amine
CID 133440360
1-(4-methylphenyl)-N-(2-pentan-3-yloxan-4-yl)tetrazol-5-amine
CID 133461869
1-ethyl-3-[(2-pentan-3-yloxan-4-yl)amino]pyrazin-2-one
CID 133439346
1-tert-butyl-N-(2-pentan-3-yloxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 133440412
2-[(2-pentan-3-yloxan-4-yl)amino]pyridine-3-sulfonamide
CID 133440405
6-tert-butylsulfonyl-N-(2-pentan-3-yloxan-4-yl)pyridin-3-amine
CID 133461855
N-(2-pentan-3-yloxan-4-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 133440410
3-chloro-5-[(2-pentan-3-yloxan-4-yl)amino]-1,2-thiazole-4-carbonitrile
CID 133461870
6-chloro-3-[(2-pentan-3-yloxan-4-yl)amino]pyridazine-4-carboxamide
CID 133438757

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2-pentan-3-yloxan-4-yl)pyrimidin-2-amine?
The IUPAC name of 5-methyl-N-(2-pentan-3-yloxan-4-yl)pyrimidin-2-amine (CID 133461839) is 5-methyl-N-(2-pentan-3-yloxan-4-yl)pyrimidin-2-amine.
What is the SMILES notation for 5-methyl-N-(2-pentan-3-yloxan-4-yl)pyrimidin-2-amine?
The canonical SMILES for 5-methyl-N-(2-pentan-3-yloxan-4-yl)pyrimidin-2-amine is CCC(CC)C1CC(Nc2ncc(C)cn2)CCO1.
What is the InChIKey of 5-methyl-N-(2-pentan-3-yloxan-4-yl)pyrimidin-2-amine?
The InChIKey is KJNUOGMUERWXHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-4-12(5-2)14-8-13(6-7-19-14)18-15-16-9-11(3)10-17-15/h9-10,12-14H,4-8H2,1-3H3,(H,16,17,18).
What are the key properties of 5-methyl-N-(2-pentan-3-yloxan-4-yl)pyrimidin-2-amine?
5-methyl-N-(2-pentan-3-yloxan-4-yl)pyrimidin-2-amine has a molecular weight of 263.38 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(2-pentan-3-yloxan-4-yl)pyrimidin-2-amine is sourced from PubChem (CID 133461839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).