1-[[5-chloro-2-(propylamino)pyrimidin-4-yl]-methylamino]-3-methoxypropan-2-ol

C12H21ClN4O2 — CID 80810389

IUPAC1-[[5-chloro-2-(propylamino)pyrimidin-4-yl]-methylamino]-3-methoxypropan-2-ol
SMILESCCCNc1ncc(Cl)c(N(C)CC(O)COC)n1
InChIInChI=1S/C12H21ClN4O2/c1-4-5-14-12-15-6-10(13)11(16-12)17(2)7-9(18)8-19-3/h6,9,18H,4-5,7-8H2,1-3H3,(H,14,15,16)
InChIKeyGCBBPXROBPFRMP-UHFFFAOYSA-N
MW288.78 g/mol
LogP1.40
Rot. Bonds8

About 1-[[5-chloro-2-(propylamino)pyrimidin-4-yl]-methylamino]-3-methoxypropan-2-ol

1-[[5-chloro-2-(propylamino)pyrimidin-4-yl]-methylamino]-3-methoxypropan-2-ol (PubChem CID 80810389) has the molecular formula C12H21ClN4O2 and a molecular weight of 288.78 g/mol. Its IUPAC name is 1-[[5-chloro-2-(propylamino)pyrimidin-4-yl]-methylamino]-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-[[5-chloro-2-(propylamino)pyrimidin-4-yl]-methylamino]-3-methoxypropan-2-ol
PubChem CID80810389
Molecular FormulaC12H21ClN4O2
Molecular Weight288.78 g/mol
Exact Mass288.14
IUPAC Name1-[[5-chloro-2-(propylamino)pyrimidin-4-yl]-methylamino]-3-methoxypropan-2-ol
SMILESCCCNc1ncc(Cl)c(N(C)CC(O)COC)n1
InChIInChI=1S/C12H21ClN4O2/c1-4-5-14-12-15-6-10(13)11(16-12)17(2)7-9(18)8-19-3/h6,9,18H,4-5,7-8H2,1-3H3,(H,14,15,16)
InChIKeyGCBBPXROBPFRMP-UHFFFAOYSA-N
XLogP1.40
TPSA70.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(5-chloro-2-methoxypyrimidin-4-yl)-methylamino]-3-methoxypropan-2-ol
CID 80711299
3-[[5-chloro-2-(propylamino)pyrimidin-4-yl]-methylamino]-2-methylpropanenitrile
CID 80810662
5-chloro-4-N-[3-(dimethylamino)propyl]-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80846421
5-chloro-4-N-(2-methoxyphenyl)-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80796240
5-chloro-4-N-methyl-4-N-(4-methylpentan-2-yl)-2-N-propylpyrimidine-2,4-diamine
CID 80810330
5-chloro-2-N,4-N,4-N-tripropylpyrimidine-2,4-diamine
CID 80764996
5-chloro-4-N-methyl-2-N-propyl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-2,4-diamine
CID 80828144
5-chloro-4-N-(2-methoxyethyl)-2-N-propylpyrimidine-2,4-diamine
CID 80765635
1-methoxy-4-[[5-methyl-2-(propylamino)pyrimidin-4-yl]amino]butan-2-ol
CID 106248711
5-chloro-4-N-methyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-N-propylpyrimidine-2,4-diamine
CID 80838918
1-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]-methylamino]-3-methoxypropan-2-ol
CID 103326416
5-chloro-4-N-(2-methoxyethyl)-2-N,4-N-dimethylpyrimidine-2,4-diamine
CID 80796727

Frequently Asked Questions

What is the IUPAC name of 1-[[5-chloro-2-(propylamino)pyrimidin-4-yl]-methylamino]-3-methoxypropan-2-ol?
The IUPAC name of 1-[[5-chloro-2-(propylamino)pyrimidin-4-yl]-methylamino]-3-methoxypropan-2-ol (CID 80810389) is 1-[[5-chloro-2-(propylamino)pyrimidin-4-yl]-methylamino]-3-methoxypropan-2-ol.
What is the SMILES notation for 1-[[5-chloro-2-(propylamino)pyrimidin-4-yl]-methylamino]-3-methoxypropan-2-ol?
The canonical SMILES for 1-[[5-chloro-2-(propylamino)pyrimidin-4-yl]-methylamino]-3-methoxypropan-2-ol is CCCNc1ncc(Cl)c(N(C)CC(O)COC)n1.
What is the InChIKey of 1-[[5-chloro-2-(propylamino)pyrimidin-4-yl]-methylamino]-3-methoxypropan-2-ol?
The InChIKey is GCBBPXROBPFRMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21ClN4O2/c1-4-5-14-12-15-6-10(13)11(16-12)17(2)7-9(18)8-19-3/h6,9,18H,4-5,7-8H2,1-3H3,(H,14,15,16).
What are the key properties of 1-[[5-chloro-2-(propylamino)pyrimidin-4-yl]-methylamino]-3-methoxypropan-2-ol?
1-[[5-chloro-2-(propylamino)pyrimidin-4-yl]-methylamino]-3-methoxypropan-2-ol has a molecular weight of 288.78 g/mol, XLogP of 1.40, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-chloro-2-(propylamino)pyrimidin-4-yl]-methylamino]-3-methoxypropan-2-ol is sourced from PubChem (CID 80810389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).