4-chloro-6-(4-methylpentoxy)pyrimidin-2-amine

C10H16ClN3O — CID 80740148

IUPAC4-chloro-6-(4-methylpentoxy)pyrimidin-2-amine
SMILESCC(C)CCCOc1cc(Cl)nc(N)n1
InChIInChI=1S/C10H16ClN3O/c1-7(2)4-3-5-15-9-6-8(11)13-10(12)14-9/h6-7H,3-5H2,1-2H3,(H2,12,13,14)
InChIKeyVKBOPJVWXOYPSV-UHFFFAOYSA-N
MW229.71 g/mol
LogP2.53
Rot. Bonds5

About 4-chloro-6-(4-methylpentoxy)pyrimidin-2-amine

4-chloro-6-(4-methylpentoxy)pyrimidin-2-amine (PubChem CID 80740148) has the molecular formula C10H16ClN3O and a molecular weight of 229.71 g/mol. Its IUPAC name is 4-chloro-6-(4-methylpentoxy)pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(4-methylpentoxy)pyrimidin-2-amine
PubChem CID80740148
Molecular FormulaC10H16ClN3O
Molecular Weight229.71 g/mol
Exact Mass229.10
IUPAC Name4-chloro-6-(4-methylpentoxy)pyrimidin-2-amine
SMILESCC(C)CCCOc1cc(Cl)nc(N)n1
InChIInChI=1S/C10H16ClN3O/c1-7(2)4-3-5-15-9-6-8(11)13-10(12)14-9/h6-7H,3-5H2,1-2H3,(H2,12,13,14)
InChIKeyVKBOPJVWXOYPSV-UHFFFAOYSA-N
XLogP2.53
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-chloro-6-(3-methylbutoxy)pyrimidin-2-amine
CID 80739777
4-chloro-2-methyl-6-(4-methylpentoxy)pyrimidine
CID 62481699
4-chloro-6-[2-(methylamino)ethoxy]pyrimidin-2-amine
CID 122443307
4-(2-butoxyethoxy)-6-chloropyrimidin-2-amine
CID 80740016
4-N-methyl-6-(3-methylbutoxy)pyrimidine-2,4-diamine
CID 80858428
4-chloro-6-[2-(dimethylamino)-2-methylpropoxy]pyrimidin-2-amine
CID 80738859
4-chloro-6-(3-methylbutylsulfanyl)pyrimidin-2-amine
CID 103704699
4-chloro-6-(2,2,2-trifluoroethoxy)pyrimidin-2-amine
CID 22104151
6-chloropyrimidine-2,4-diamine;2-(2,6-diaminopyrimidin-4-yl)oxyethanol
CID 161467672
sodium;4-chloro-6-methoxypyrimidin-2-amine;hydride
CID 175737665
2-chloro-6-(3-methylbutoxy)-4-(trifluoromethyl)pyridine
CID 102715140
4-butoxy-6-(chloromethyl)pyrimidin-2-amine
CID 54521493

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(4-methylpentoxy)pyrimidin-2-amine?
The IUPAC name of 4-chloro-6-(4-methylpentoxy)pyrimidin-2-amine (CID 80740148) is 4-chloro-6-(4-methylpentoxy)pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-6-(4-methylpentoxy)pyrimidin-2-amine?
The canonical SMILES for 4-chloro-6-(4-methylpentoxy)pyrimidin-2-amine is CC(C)CCCOc1cc(Cl)nc(N)n1.
What is the InChIKey of 4-chloro-6-(4-methylpentoxy)pyrimidin-2-amine?
The InChIKey is VKBOPJVWXOYPSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O/c1-7(2)4-3-5-15-9-6-8(11)13-10(12)14-9/h6-7H,3-5H2,1-2H3,(H2,12,13,14).
What are the key properties of 4-chloro-6-(4-methylpentoxy)pyrimidin-2-amine?
4-chloro-6-(4-methylpentoxy)pyrimidin-2-amine has a molecular weight of 229.71 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(4-methylpentoxy)pyrimidin-2-amine is sourced from PubChem (CID 80740148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).