4-chloro-6-[2-(dimethylamino)-2-methylpropoxy]pyrimidin-2-amine

C10H17ClN4O — CID 80738859

IUPAC4-chloro-6-[2-(dimethylamino)-2-methylpropoxy]pyrimidin-2-amine
SMILESCN(C)C(C)(C)COc1cc(Cl)nc(N)n1
InChIInChI=1S/C10H17ClN4O/c1-10(2,15(3)4)6-16-8-5-7(11)13-9(12)14-8/h5H,6H2,1-4H3,(H2,12,13,14)
InChIKeyQIFMCHNLRCOMPP-UHFFFAOYSA-N
MW244.73 g/mol
LogP1.43
Rot. Bonds4

About 4-chloro-6-[2-(dimethylamino)-2-methylpropoxy]pyrimidin-2-amine

4-chloro-6-[2-(dimethylamino)-2-methylpropoxy]pyrimidin-2-amine (PubChem CID 80738859) has the molecular formula C10H17ClN4O and a molecular weight of 244.73 g/mol. Its IUPAC name is 4-chloro-6-[2-(dimethylamino)-2-methylpropoxy]pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-6-[2-(dimethylamino)-2-methylpropoxy]pyrimidin-2-amine
PubChem CID80738859
Molecular FormulaC10H17ClN4O
Molecular Weight244.73 g/mol
Exact Mass244.11
IUPAC Name4-chloro-6-[2-(dimethylamino)-2-methylpropoxy]pyrimidin-2-amine
SMILESCN(C)C(C)(C)COc1cc(Cl)nc(N)n1
InChIInChI=1S/C10H17ClN4O/c1-10(2,15(3)4)6-16-8-5-7(11)13-9(12)14-8/h5H,6H2,1-4H3,(H2,12,13,14)
InChIKeyQIFMCHNLRCOMPP-UHFFFAOYSA-N
XLogP1.43
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.73
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[2-(dimethylamino)-2-methylpropoxy]-4-N-methylpyrimidine-2,4-diamine
CID 80878392
4-chloro-6-(2,2,2-trifluoroethoxy)pyrimidin-2-amine
CID 22104151
4-chloro-6-(3-methylbutoxy)pyrimidin-2-amine
CID 80739777
4-chloro-6-(4-methylpentoxy)pyrimidin-2-amine
CID 80740148
4-chloro-6-[2-(methylamino)ethoxy]pyrimidin-2-amine
CID 122443307
sodium;4-chloro-6-methoxypyrimidin-2-amine;hydride
CID 175737665
4-(2-butoxyethoxy)-6-chloropyrimidin-2-amine
CID 80740016
4-chloro-2-[2-(dimethylamino)-2-methylpropoxy]aniline
CID 115469310
4-chloro-6-[(3-methoxyphenyl)methoxy]pyrimidin-2-amine
CID 80740138
4-chloro-6-[[4-(ethylsulfanylmethyl)phenyl]methoxy]pyrimidin-2-amine
CID 146671786
2-[4-(2-amino-6-chloropyrimidin-4-yl)oxyphenyl]propan-2-ol
CID 163247823
6-chloropyrimidine-2,4-diamine;2-(2,6-diaminopyrimidin-4-yl)oxyethanol
CID 161467672

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[2-(dimethylamino)-2-methylpropoxy]pyrimidin-2-amine?
The IUPAC name of 4-chloro-6-[2-(dimethylamino)-2-methylpropoxy]pyrimidin-2-amine (CID 80738859) is 4-chloro-6-[2-(dimethylamino)-2-methylpropoxy]pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-6-[2-(dimethylamino)-2-methylpropoxy]pyrimidin-2-amine?
The canonical SMILES for 4-chloro-6-[2-(dimethylamino)-2-methylpropoxy]pyrimidin-2-amine is CN(C)C(C)(C)COc1cc(Cl)nc(N)n1.
What is the InChIKey of 4-chloro-6-[2-(dimethylamino)-2-methylpropoxy]pyrimidin-2-amine?
The InChIKey is QIFMCHNLRCOMPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN4O/c1-10(2,15(3)4)6-16-8-5-7(11)13-9(12)14-8/h5H,6H2,1-4H3,(H2,12,13,14).
What are the key properties of 4-chloro-6-[2-(dimethylamino)-2-methylpropoxy]pyrimidin-2-amine?
4-chloro-6-[2-(dimethylamino)-2-methylpropoxy]pyrimidin-2-amine has a molecular weight of 244.73 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[2-(dimethylamino)-2-methylpropoxy]pyrimidin-2-amine is sourced from PubChem (CID 80738859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).