N-butan-2-yl-6-chloro-2-(oxolan-2-yl)pyrimidin-4-amine

C12H18ClN3O — CID 82463293

IUPACN-butan-2-yl-6-chloro-2-(oxolan-2-yl)pyrimidin-4-amine
SMILESCCC(C)Nc1cc(Cl)nc(C2CCCO2)n1
InChIInChI=1S/C12H18ClN3O/c1-3-8(2)14-11-7-10(13)15-12(16-11)9-5-4-6-17-9/h7-9H,3-6H2,1-2H3,(H,14,15,16)
InChIKeyKVBCKQLLBGNTRA-UHFFFAOYSA-N
MW255.75 g/mol
LogP3.19
Rot. Bonds4

About N-butan-2-yl-6-chloro-2-(oxolan-2-yl)pyrimidin-4-amine

N-butan-2-yl-6-chloro-2-(oxolan-2-yl)pyrimidin-4-amine (PubChem CID 82463293) has the molecular formula C12H18ClN3O and a molecular weight of 255.75 g/mol. Its IUPAC name is N-butan-2-yl-6-chloro-2-(oxolan-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-butan-2-yl-6-chloro-2-(oxolan-2-yl)pyrimidin-4-amine
PubChem CID82463293
Molecular FormulaC12H18ClN3O
Molecular Weight255.75 g/mol
Exact Mass255.11
IUPAC NameN-butan-2-yl-6-chloro-2-(oxolan-2-yl)pyrimidin-4-amine
SMILESCCC(C)Nc1cc(Cl)nc(C2CCCO2)n1
InChIInChI=1S/C12H18ClN3O/c1-3-8(2)14-11-7-10(13)15-12(16-11)9-5-4-6-17-9/h7-9H,3-6H2,1-2H3,(H,14,15,16)
InChIKeyKVBCKQLLBGNTRA-UHFFFAOYSA-N
XLogP3.19
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-butan-2-yl]-6-chloro-2-methylpyrimidin-4-amine
CID 94454151
N-[3-[[6-chloro-2-(oxolan-2-yl)pyrimidin-4-yl]amino]propyl]formamide
CID 82463284
6-chloro-2-cyclopropyl-N-hexan-2-ylpyrimidin-4-amine
CID 80950895
6-chloro-N-[1-(oxolan-2-yl)ethyl]-2-propylpyrimidin-4-amine
CID 80940573
6-chloro-2-cyclopropyl-N-pentan-3-ylpyrimidin-4-amine
CID 80948003
4-N-butan-2-yl-6-(2-methoxyethoxy)-2-(oxolan-2-yl)pyrimidine-4,5-diamine
CID 82457954
2-(butan-2-ylamino)-6-chloropyridine-4-carboxylic acid
CID 21430349
N-cyclopropyl-6-ethoxy-2-(oxolan-2-yl)pyrimidin-4-amine
CID 82457723
6-tert-butyl-N-ethyl-2-(oxolan-2-yl)pyrimidin-4-amine
CID 65328095
N-ethyl-2-(oxolan-2-yl)-6-propylpyrimidin-4-amine
CID 65328938
2-(butan-2-ylamino)-6-chloropyridine-4-carbonitrile
CID 83072944
N-[[6-methyl-2-(oxolan-2-yl)pyrimidin-4-yl]methyl]propan-2-amine
CID 65328783

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-6-chloro-2-(oxolan-2-yl)pyrimidin-4-amine?
The IUPAC name of N-butan-2-yl-6-chloro-2-(oxolan-2-yl)pyrimidin-4-amine (CID 82463293) is N-butan-2-yl-6-chloro-2-(oxolan-2-yl)pyrimidin-4-amine.
What is the SMILES notation for N-butan-2-yl-6-chloro-2-(oxolan-2-yl)pyrimidin-4-amine?
The canonical SMILES for N-butan-2-yl-6-chloro-2-(oxolan-2-yl)pyrimidin-4-amine is CCC(C)Nc1cc(Cl)nc(C2CCCO2)n1.
What is the InChIKey of N-butan-2-yl-6-chloro-2-(oxolan-2-yl)pyrimidin-4-amine?
The InChIKey is KVBCKQLLBGNTRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O/c1-3-8(2)14-11-7-10(13)15-12(16-11)9-5-4-6-17-9/h7-9H,3-6H2,1-2H3,(H,14,15,16).
What are the key properties of N-butan-2-yl-6-chloro-2-(oxolan-2-yl)pyrimidin-4-amine?
N-butan-2-yl-6-chloro-2-(oxolan-2-yl)pyrimidin-4-amine has a molecular weight of 255.75 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-6-chloro-2-(oxolan-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 82463293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).