2,5-dichloro-N-(1-methoxypropan-2-yl)pyrimidin-4-amine

C8H11Cl2N3O — CID 79632585

IUPAC2,5-dichloro-N-(1-methoxypropan-2-yl)pyrimidin-4-amine
SMILESCOCC(C)Nc1nc(Cl)ncc1Cl
InChIInChI=1S/C8H11Cl2N3O/c1-5(4-14-2)12-7-6(9)3-11-8(10)13-7/h3,5H,4H2,1-2H3,(H,11,12,13)
InChIKeyDXHKWEQDDLRNIV-UHFFFAOYSA-N
MW236.10 g/mol
LogP2.23
Rot. Bonds4

About 2,5-dichloro-N-(1-methoxypropan-2-yl)pyrimidin-4-amine

2,5-dichloro-N-(1-methoxypropan-2-yl)pyrimidin-4-amine (PubChem CID 79632585) has the molecular formula C8H11Cl2N3O and a molecular weight of 236.10 g/mol. Its IUPAC name is 2,5-dichloro-N-(1-methoxypropan-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2,5-dichloro-N-(1-methoxypropan-2-yl)pyrimidin-4-amine
PubChem CID79632585
Molecular FormulaC8H11Cl2N3O
Molecular Weight236.10 g/mol
Exact Mass235.03
IUPAC Name2,5-dichloro-N-(1-methoxypropan-2-yl)pyrimidin-4-amine
SMILESCOCC(C)Nc1nc(Cl)ncc1Cl
InChIInChI=1S/C8H11Cl2N3O/c1-5(4-14-2)12-7-6(9)3-11-8(10)13-7/h3,5H,4H2,1-2H3,(H,11,12,13)
InChIKeyDXHKWEQDDLRNIV-UHFFFAOYSA-N
XLogP2.23
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.10
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-(oxan-4-yl)pyrimidin-2-amine
CID 79557014
2,5-dichloro-N-methylpyrimidin-4-amine
CID 18981247
2-[2-[(5-Chloropyrimidin-2-yl)-[1-(hydroxymethyl)propyl]amino]ethylamino]butan-1-ol
CID 469967
4-[5-Chloro-2-(3-methylmorpholin-4-yl)pyrimidin-4-yl]-3-methylmorpholine
CID 71863714
5-chloro-4-N-[(2S)-1-(2,2,2-trifluoroethoxy)propan-2-yl]pyrimidine-4,6-diamine
CID 100648089
4-N-(2,2-difluoroethyl)-5-fluoro-2-N-(2-methoxyethyl)-2-N-methylpyrimidine-2,4-diamine
CID 126829731
5-chloro-2-N,4-N-bis[(3R)-oxolan-3-yl]pyrimidine-2,4-diamine
CID 136582978
2-butoxy-5-fluoro-N-propan-2-ylpyrimidin-4-amine
CID 57818435
2-[(2-Chloro-5-fluoropyrimidin-4-yl)amino]propan-1-ol
CID 79081341
5-fluoro-2-N-(2-methoxyethyl)pyrimidine-2,4-diamine
CID 83697169
2-chloro-N-(3-methoxypropan-2-yl)-5-trifluoromethylpyrimidine-4-amine
CID 86657660
2,5-dichloro-N-(1,1,1-trifluoropropan-2-yl)pyrimidin-4-amine
CID 87314086

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(1-methoxypropan-2-yl)pyrimidin-4-amine?
The IUPAC name of 2,5-dichloro-N-(1-methoxypropan-2-yl)pyrimidin-4-amine (CID 79632585) is 2,5-dichloro-N-(1-methoxypropan-2-yl)pyrimidin-4-amine.
What is the SMILES notation for 2,5-dichloro-N-(1-methoxypropan-2-yl)pyrimidin-4-amine?
The canonical SMILES for 2,5-dichloro-N-(1-methoxypropan-2-yl)pyrimidin-4-amine is COCC(C)Nc1nc(Cl)ncc1Cl.
What is the InChIKey of 2,5-dichloro-N-(1-methoxypropan-2-yl)pyrimidin-4-amine?
The InChIKey is DXHKWEQDDLRNIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11Cl2N3O/c1-5(4-14-2)12-7-6(9)3-11-8(10)13-7/h3,5H,4H2,1-2H3,(H,11,12,13).
What are the key properties of 2,5-dichloro-N-(1-methoxypropan-2-yl)pyrimidin-4-amine?
2,5-dichloro-N-(1-methoxypropan-2-yl)pyrimidin-4-amine has a molecular weight of 236.10 g/mol, XLogP of 2.23, 4 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-methoxypropan-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 79632585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).