2,5-dichloro-N-[1-(oxolan-2-yl)ethyl]pyrimidin-4-amine

C10H13Cl2N3O — CID 79632789

IUPAC2,5-dichloro-N-[1-(oxolan-2-yl)ethyl]pyrimidin-4-amine
SMILESCC(Nc1nc(Cl)ncc1Cl)C1CCCO1
InChIInChI=1S/C10H13Cl2N3O/c1-6(8-3-2-4-16-8)14-9-7(11)5-13-10(12)15-9/h5-6,8H,2-4H2,1H3,(H,13,14,15)
InChIKeyRFYATIWLIAFNAE-UHFFFAOYSA-N
MW262.14 g/mol
LogP2.76
Rot. Bonds3

About 2,5-dichloro-N-[1-(oxolan-2-yl)ethyl]pyrimidin-4-amine

2,5-dichloro-N-[1-(oxolan-2-yl)ethyl]pyrimidin-4-amine (PubChem CID 79632789) has the molecular formula C10H13Cl2N3O and a molecular weight of 262.14 g/mol. Its IUPAC name is 2,5-dichloro-N-[1-(oxolan-2-yl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2,5-dichloro-N-[1-(oxolan-2-yl)ethyl]pyrimidin-4-amine
PubChem CID79632789
Molecular FormulaC10H13Cl2N3O
Molecular Weight262.14 g/mol
Exact Mass261.04
IUPAC Name2,5-dichloro-N-[1-(oxolan-2-yl)ethyl]pyrimidin-4-amine
SMILESCC(Nc1nc(Cl)ncc1Cl)C1CCCO1
InChIInChI=1S/C10H13Cl2N3O/c1-6(8-3-2-4-16-8)14-9-7(11)5-13-10(12)15-9/h5-6,8H,2-4H2,1H3,(H,13,14,15)
InChIKeyRFYATIWLIAFNAE-UHFFFAOYSA-N
XLogP2.76
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.14
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-5-fluoro-N-[1-(oxolan-2-yl)ethyl]pyrimidin-4-amine
CID 79081832
3-chloro-N-[1-(oxolan-2-yl)ethyl]-1,2,4-triazin-5-amine
CID 82237452
2-N,5-dimethyl-4-N-[1-(oxolan-2-yl)ethyl]pyrimidine-2,4-diamine
CID 80780776
5-bromo-3-methyl-N-[1-(oxolan-2-yl)ethyl]pyridin-2-amine
CID 79717768
6-chloro-2-N-[1-(oxolan-2-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 80780773
5-amino-2-[1-(oxolan-2-yl)ethylamino]pyridine-3-carbonitrile
CID 54860605
6-chloro-2-ethyl-5-methyl-N-[1-(oxolan-2-yl)ethyl]pyrimidin-4-amine
CID 80970027
2,5-dichloro-N-(1-cyclopropylpropyl)pyrimidin-4-amine
CID 130751690
4,5-dimethyl-N-[1-(oxolan-2-yl)ethyl]-1,3-thiazol-2-amine
CID 65169694
2,5-dichloro-N-(oxan-3-yl)pyrimidin-4-amine
CID 79633134
3-chloro-2-N-[1-(oxolan-2-yl)ethyl]benzene-1,2-diamine
CID 43533841
4-N-[1-(oxolan-2-yl)ethyl]quinazoline-2,4-diamine
CID 80780771

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[1-(oxolan-2-yl)ethyl]pyrimidin-4-amine?
The IUPAC name of 2,5-dichloro-N-[1-(oxolan-2-yl)ethyl]pyrimidin-4-amine (CID 79632789) is 2,5-dichloro-N-[1-(oxolan-2-yl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 2,5-dichloro-N-[1-(oxolan-2-yl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 2,5-dichloro-N-[1-(oxolan-2-yl)ethyl]pyrimidin-4-amine is CC(Nc1nc(Cl)ncc1Cl)C1CCCO1.
What is the InChIKey of 2,5-dichloro-N-[1-(oxolan-2-yl)ethyl]pyrimidin-4-amine?
The InChIKey is RFYATIWLIAFNAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2N3O/c1-6(8-3-2-4-16-8)14-9-7(11)5-13-10(12)15-9/h5-6,8H,2-4H2,1H3,(H,13,14,15).
What are the key properties of 2,5-dichloro-N-[1-(oxolan-2-yl)ethyl]pyrimidin-4-amine?
2,5-dichloro-N-[1-(oxolan-2-yl)ethyl]pyrimidin-4-amine has a molecular weight of 262.14 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[1-(oxolan-2-yl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 79632789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).