1-[(6-amino-5-chloropyrimidin-4-yl)-ethylamino]-2-methylpropan-2-ol

C10H17ClN4O — CID 106812063

IUPAC1-[(6-amino-5-chloropyrimidin-4-yl)-ethylamino]-2-methylpropan-2-ol
SMILESCCN(CC(C)(C)O)c1ncnc(N)c1Cl
InChIInChI=1S/C10H17ClN4O/c1-4-15(5-10(2,3)16)9-7(11)8(12)13-6-14-9/h6,16H,4-5H2,1-3H3,(H2,12,13,14)
InChIKeyHJSFTQFDXRBJKF-UHFFFAOYSA-N
MW244.73 g/mol
LogP1.31
Rot. Bonds4

About 1-[(6-amino-5-chloropyrimidin-4-yl)-ethylamino]-2-methylpropan-2-ol

1-[(6-amino-5-chloropyrimidin-4-yl)-ethylamino]-2-methylpropan-2-ol (PubChem CID 106812063) has the molecular formula C10H17ClN4O and a molecular weight of 244.73 g/mol. Its IUPAC name is 1-[(6-amino-5-chloropyrimidin-4-yl)-ethylamino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[(6-amino-5-chloropyrimidin-4-yl)-ethylamino]-2-methylpropan-2-ol
PubChem CID106812063
Molecular FormulaC10H17ClN4O
Molecular Weight244.73 g/mol
Exact Mass244.11
IUPAC Name1-[(6-amino-5-chloropyrimidin-4-yl)-ethylamino]-2-methylpropan-2-ol
SMILESCCN(CC(C)(C)O)c1ncnc(N)c1Cl
InChIInChI=1S/C10H17ClN4O/c1-4-15(5-10(2,3)16)9-7(11)8(12)13-6-14-9/h6,16H,4-5H2,1-3H3,(H2,12,13,14)
InChIKeyHJSFTQFDXRBJKF-UHFFFAOYSA-N
XLogP1.31
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.73
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(6-amino-5-chloropyrimidin-4-yl)-ethylamino]-2-methylpropan-2-ol with MolForge

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Related Compounds

1-[[6-[(2-Hydroxy-2-methylpropyl)-methylamino]pyrimidin-4-yl]-methylamino]-2-methylpropan-2-ol
CID 75524466
5-chloro-4-N-[3-(diethylamino)propyl]-4-N-methylpyrimidine-4,6-diamine
CID 100648603
5-chloro-4-N-(2-ethoxy-2-methylpropyl)pyrimidine-4,6-diamine
CID 106812458
(2R)-1-[(6-amino-5-chloropyrimidin-4-yl)amino]-2-cyclopropylpropan-2-ol
CID 164639238
1-[(2-Amino-5-fluoropyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol
CID 80847985
1-[(2-Amino-5-fluoropyrimidin-4-yl)-ethylamino]-2-methylpropan-2-ol
CID 80848231
1-[(2-Chloro-5-fluoropyrimidin-4-yl)amino]-3-(dimethylamino)-2-methylpropan-2-ol
CID 106149404
2-[(6-Amino-5-chloropyrimidin-4-yl)-(2,2-difluoroethyl)amino]ethanol
CID 108181779
2-[(6-Amino-5-chloropyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol
CID 114049904
1-(5-Chloro-2-fluoropyrimidin-4-yl)-3-methylazetidin-3-ol
CID 164645227
4-(4-Amino-6-chloropyrimidin-5-yl)-2-methylbut-3-yn-2-ol
CID 90233065
1-[(2,6-Dichloro-5-methanimidoylpyrimidin-4-yl)amino]-2-methylpropan-2-ol
CID 91050598

Frequently Asked Questions

What is the IUPAC name of 1-[(6-amino-5-chloropyrimidin-4-yl)-ethylamino]-2-methylpropan-2-ol?
The IUPAC name of 1-[(6-amino-5-chloropyrimidin-4-yl)-ethylamino]-2-methylpropan-2-ol (CID 106812063) is 1-[(6-amino-5-chloropyrimidin-4-yl)-ethylamino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[(6-amino-5-chloropyrimidin-4-yl)-ethylamino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[(6-amino-5-chloropyrimidin-4-yl)-ethylamino]-2-methylpropan-2-ol is CCN(CC(C)(C)O)c1ncnc(N)c1Cl.
What is the InChIKey of 1-[(6-amino-5-chloropyrimidin-4-yl)-ethylamino]-2-methylpropan-2-ol?
The InChIKey is HJSFTQFDXRBJKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN4O/c1-4-15(5-10(2,3)16)9-7(11)8(12)13-6-14-9/h6,16H,4-5H2,1-3H3,(H2,12,13,14).
What are the key properties of 1-[(6-amino-5-chloropyrimidin-4-yl)-ethylamino]-2-methylpropan-2-ol?
1-[(6-amino-5-chloropyrimidin-4-yl)-ethylamino]-2-methylpropan-2-ol has a molecular weight of 244.73 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-amino-5-chloropyrimidin-4-yl)-ethylamino]-2-methylpropan-2-ol is sourced from PubChem (CID 106812063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).