1-[(6-amino-5-propylpyrimidin-4-yl)amino]-3-(dimethylamino)-2-methylpropan-2-ol

C13H25N5O — CID 106150169

IUPAC1-[(6-amino-5-propylpyrimidin-4-yl)amino]-3-(dimethylamino)-2-methylpropan-2-ol
SMILESCCCc1c(N)ncnc1NCC(C)(O)CN(C)C
InChIInChI=1S/C13H25N5O/c1-5-6-10-11(14)16-9-17-12(10)15-7-13(2,19)8-18(3)4/h9,19H,5-8H2,1-4H3,(H3,14,15,16,17)
InChIKeyINYZOYCVJZRLDR-UHFFFAOYSA-N
MW267.38 g/mol
LogP0.74
Rot. Bonds7

About 1-[(6-amino-5-propylpyrimidin-4-yl)amino]-3-(dimethylamino)-2-methylpropan-2-ol

1-[(6-amino-5-propylpyrimidin-4-yl)amino]-3-(dimethylamino)-2-methylpropan-2-ol (PubChem CID 106150169) has the molecular formula C13H25N5O and a molecular weight of 267.38 g/mol. Its IUPAC name is 1-[(6-amino-5-propylpyrimidin-4-yl)amino]-3-(dimethylamino)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[(6-amino-5-propylpyrimidin-4-yl)amino]-3-(dimethylamino)-2-methylpropan-2-ol
PubChem CID106150169
Molecular FormulaC13H25N5O
Molecular Weight267.38 g/mol
Exact Mass267.21
IUPAC Name1-[(6-amino-5-propylpyrimidin-4-yl)amino]-3-(dimethylamino)-2-methylpropan-2-ol
SMILESCCCc1c(N)ncnc1NCC(C)(O)CN(C)C
InChIInChI=1S/C13H25N5O/c1-5-6-10-11(14)16-9-17-12(10)15-7-13(2,19)8-18(3)4/h9,19H,5-8H2,1-4H3,(H3,14,15,16,17)
InChIKeyINYZOYCVJZRLDR-UHFFFAOYSA-N
XLogP0.74
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(6-amino-5-propylpyrimidin-4-yl)amino]-2,2-dimethylpropanamide
CID 114167772
4-N-[2-(dimethylamino)propyl]-5-propylpyrimidine-4,6-diamine
CID 80820218
1-[(5-amino-6-methoxypyrimidin-4-yl)amino]-3-(dimethylamino)-2-methylpropan-2-ol
CID 106141779
3-[[6-(ethylamino)-5-propylpyrimidin-4-yl]amino]-2-methylpropane-1,2-diol
CID 80851169
4-N-[2-(dimethylamino)phenyl]-5-propylpyrimidine-4,6-diamine
CID 106761045
4-N-(2-methoxyethyl)-5-propylpyrimidine-4,6-diamine
CID 80765819
4-N-(2-methylsulfanylethyl)-5-propylpyrimidine-4,6-diamine
CID 80838235
3-[[(6-amino-5-propylpyrimidin-4-yl)amino]methyl]pentan-1-ol
CID 80852382
1-[(5-aminopyrimidin-2-yl)amino]-3-(dimethylamino)-2-methylpropan-2-ol
CID 106141561
4-N-(2-methoxypropyl)-5-propylpyrimidine-4,6-diamine
CID 102701914
3-[[(6-amino-5-methylpyrimidin-4-yl)amino]methyl]pentan-3-ol
CID 80842506
3-[(6-amino-5-ethylpyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol
CID 115366531

Frequently Asked Questions

What is the IUPAC name of 1-[(6-amino-5-propylpyrimidin-4-yl)amino]-3-(dimethylamino)-2-methylpropan-2-ol?
The IUPAC name of 1-[(6-amino-5-propylpyrimidin-4-yl)amino]-3-(dimethylamino)-2-methylpropan-2-ol (CID 106150169) is 1-[(6-amino-5-propylpyrimidin-4-yl)amino]-3-(dimethylamino)-2-methylpropan-2-ol.
What is the SMILES notation for 1-[(6-amino-5-propylpyrimidin-4-yl)amino]-3-(dimethylamino)-2-methylpropan-2-ol?
The canonical SMILES for 1-[(6-amino-5-propylpyrimidin-4-yl)amino]-3-(dimethylamino)-2-methylpropan-2-ol is CCCc1c(N)ncnc1NCC(C)(O)CN(C)C.
What is the InChIKey of 1-[(6-amino-5-propylpyrimidin-4-yl)amino]-3-(dimethylamino)-2-methylpropan-2-ol?
The InChIKey is INYZOYCVJZRLDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O/c1-5-6-10-11(14)16-9-17-12(10)15-7-13(2,19)8-18(3)4/h9,19H,5-8H2,1-4H3,(H3,14,15,16,17).
What are the key properties of 1-[(6-amino-5-propylpyrimidin-4-yl)amino]-3-(dimethylamino)-2-methylpropan-2-ol?
1-[(6-amino-5-propylpyrimidin-4-yl)amino]-3-(dimethylamino)-2-methylpropan-2-ol has a molecular weight of 267.38 g/mol, XLogP of 0.74, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-amino-5-propylpyrimidin-4-yl)amino]-3-(dimethylamino)-2-methylpropan-2-ol is sourced from PubChem (CID 106150169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).