1-[(2-amino-6-ethyl-5-methylpyrimidin-4-yl)amino]-3-(dimethylamino)propan-2-ol

C12H23N5O — CID 72863959

IUPAC1-[(2-amino-6-ethyl-5-methylpyrimidin-4-yl)amino]-3-(dimethylamino)propan-2-ol
SMILESCCc1nc(N)nc(NCC(O)CN(C)C)c1C
InChIInChI=1S/C12H23N5O/c1-5-10-8(2)11(16-12(13)15-10)14-6-9(18)7-17(3)4/h9,18H,5-7H2,1-4H3,(H3,13,14,15,16)
InChIKeyGEXNOOUCYFWSGS-UHFFFAOYSA-N
MW253.35 g/mol
LogP0.26
Rot. Bonds6

About 1-[(2-amino-6-ethyl-5-methylpyrimidin-4-yl)amino]-3-(dimethylamino)propan-2-ol

1-[(2-amino-6-ethyl-5-methylpyrimidin-4-yl)amino]-3-(dimethylamino)propan-2-ol (PubChem CID 72863959) has the molecular formula C12H23N5O and a molecular weight of 253.35 g/mol. Its IUPAC name is 1-[(2-amino-6-ethyl-5-methylpyrimidin-4-yl)amino]-3-(dimethylamino)propan-2-ol.

Molecular Properties

Compound Name1-[(2-amino-6-ethyl-5-methylpyrimidin-4-yl)amino]-3-(dimethylamino)propan-2-ol
PubChem CID72863959
Molecular FormulaC12H23N5O
Molecular Weight253.35 g/mol
Exact Mass253.19
IUPAC Name1-[(2-amino-6-ethyl-5-methylpyrimidin-4-yl)amino]-3-(dimethylamino)propan-2-ol
SMILESCCc1nc(N)nc(NCC(O)CN(C)C)c1C
InChIInChI=1S/C12H23N5O/c1-5-10-8(2)11(16-12(13)15-10)14-6-9(18)7-17(3)4/h9,18H,5-7H2,1-4H3,(H3,13,14,15,16)
InChIKeyGEXNOOUCYFWSGS-UHFFFAOYSA-N
XLogP0.26
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-N,5-dibutyl-6-methylpyrimidine-2,4-diamine
CID 135271003
4-N-butyl-6-methyl-5-pentylpyrimidine-2,4-diamine
CID 135271007
4-N-butyl-5-[3-(dimethylamino)propyl]-6-methylpyrimidine-2,4-diamine
CID 135271012
4-N-butyl-6-methyl-5-(3-morpholin-4-ylpropyl)pyrimidine-2,4-diamine
CID 135271014
4-N-butyl-5-[3-[2-methoxyethyl(methyl)amino]propyl]-6-methylpyrimidine-2,4-diamine
CID 135271018
4-N-butyl-5-[3-(diethylamino)propyl]-6-methylpyrimidine-2,4-diamine
CID 135271022
4-N-butyl-6-methyl-5-(3-piperidin-1-ylpropyl)pyrimidine-2,4-diamine
CID 135271028
4-N-butyl-6-methyl-5-(3-pyrrolidin-1-ylpropyl)pyrimidine-2,4-diamine
CID 135271038
4-N-butyl-6-methyl-5-(4-morpholin-4-ylbutyl)pyrimidine-2,4-diamine
CID 135271039
5-(4-aminobutyl)-4-N-butyl-6-methylpyrimidine-2,4-diamine;dihydrochloride
CID 155543587
4-[2-Amino-4-(butylamino)-6-methylpyrimidin-5-yl]butan-1-ol
CID 135260399
4-[2-Amino-4-(butylamino)-6-methylpyrimidin-5-yl]-2-methylbutan-2-ol
CID 135260404

Frequently Asked Questions

What is the IUPAC name of 1-[(2-amino-6-ethyl-5-methylpyrimidin-4-yl)amino]-3-(dimethylamino)propan-2-ol?
The IUPAC name of 1-[(2-amino-6-ethyl-5-methylpyrimidin-4-yl)amino]-3-(dimethylamino)propan-2-ol (CID 72863959) is 1-[(2-amino-6-ethyl-5-methylpyrimidin-4-yl)amino]-3-(dimethylamino)propan-2-ol.
What is the SMILES notation for 1-[(2-amino-6-ethyl-5-methylpyrimidin-4-yl)amino]-3-(dimethylamino)propan-2-ol?
The canonical SMILES for 1-[(2-amino-6-ethyl-5-methylpyrimidin-4-yl)amino]-3-(dimethylamino)propan-2-ol is CCc1nc(N)nc(NCC(O)CN(C)C)c1C.
What is the InChIKey of 1-[(2-amino-6-ethyl-5-methylpyrimidin-4-yl)amino]-3-(dimethylamino)propan-2-ol?
The InChIKey is GEXNOOUCYFWSGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O/c1-5-10-8(2)11(16-12(13)15-10)14-6-9(18)7-17(3)4/h9,18H,5-7H2,1-4H3,(H3,13,14,15,16).
What are the key properties of 1-[(2-amino-6-ethyl-5-methylpyrimidin-4-yl)amino]-3-(dimethylamino)propan-2-ol?
1-[(2-amino-6-ethyl-5-methylpyrimidin-4-yl)amino]-3-(dimethylamino)propan-2-ol has a molecular weight of 253.35 g/mol, XLogP of 0.26, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-amino-6-ethyl-5-methylpyrimidin-4-yl)amino]-3-(dimethylamino)propan-2-ol is sourced from PubChem (CID 72863959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).