2-[[5-[(cyclopropylamino)methyl]pyrimidin-2-yl]-methylamino]propan-1-ol

C12H20N4O — CID 104552865

IUPAC2-[[5-[(cyclopropylamino)methyl]pyrimidin-2-yl]-methylamino]propan-1-ol
SMILESCC(CO)N(C)c1ncc(CNC2CC2)cn1
InChIInChI=1S/C12H20N4O/c1-9(8-17)16(2)12-14-6-10(7-15-12)5-13-11-3-4-11/h6-7,9,11,13,17H,3-5,8H2,1-2H3
InChIKeyDBZRVMQYLBMDIN-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.55
Rot. Bonds6

About 2-[[5-[(cyclopropylamino)methyl]pyrimidin-2-yl]-methylamino]propan-1-ol

2-[[5-[(cyclopropylamino)methyl]pyrimidin-2-yl]-methylamino]propan-1-ol (PubChem CID 104552865) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 2-[[5-[(cyclopropylamino)methyl]pyrimidin-2-yl]-methylamino]propan-1-ol.

Molecular Properties

Compound Name2-[[5-[(cyclopropylamino)methyl]pyrimidin-2-yl]-methylamino]propan-1-ol
PubChem CID104552865
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name2-[[5-[(cyclopropylamino)methyl]pyrimidin-2-yl]-methylamino]propan-1-ol
SMILESCC(CO)N(C)c1ncc(CNC2CC2)cn1
InChIInChI=1S/C12H20N4O/c1-9(8-17)16(2)12-14-6-10(7-15-12)5-13-11-3-4-11/h6-7,9,11,13,17H,3-5,8H2,1-2H3
InChIKeyDBZRVMQYLBMDIN-UHFFFAOYSA-N
XLogP0.55
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(cyclopropylamino)methyl]-2-fluoro-N-methylanilino]propan-1-ol
CID 113426115
2-[(5-aminopyrimidin-2-yl)-methylamino]propan-1-ol
CID 104551057
1-[[[5-[(cyclopropylamino)methyl]pyrimidin-2-yl]-methylamino]methyl]cyclopentan-1-ol
CID 114950566
N-butan-2-yl-5-[(cyclopropylamino)methyl]-N,4-dimethylpyrimidin-2-amine
CID 83186362
N-[[2-(1-methylsulfonylethyl)pyrimidin-5-yl]methyl]cyclopropanamine
CID 116633398
5-[(cyclopropylamino)methyl]-N-methyl-N-(2-methylbutyl)pyridin-2-amine
CID 62280084
N-[(2-cyclopropylpyrimidin-5-yl)methyl]cyclopropanamine
CID 62757323
N-butan-2-yl-5-[(cyclopropylamino)methyl]-N-ethylpyridin-2-amine
CID 62278694
3-chloro-5-[(cyclopropylamino)methyl]-N,N-bis(2-methylpropyl)pyridin-2-amine
CID 63487574
N-[[2-(methylsulfanylmethyl)pyrimidin-5-yl]methyl]cyclopropanamine
CID 62757142
N-[[2-(4-ethylcyclohexyl)pyrimidin-5-yl]methyl]cyclopropanamine
CID 65391135
N-[(6-methyl-3-pyridinyl)methyl]cyclopropanamine
CID 43163855

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[(cyclopropylamino)methyl]pyrimidin-2-yl]-methylamino]propan-1-ol?
The IUPAC name of 2-[[5-[(cyclopropylamino)methyl]pyrimidin-2-yl]-methylamino]propan-1-ol (CID 104552865) is 2-[[5-[(cyclopropylamino)methyl]pyrimidin-2-yl]-methylamino]propan-1-ol.
What is the SMILES notation for 2-[[5-[(cyclopropylamino)methyl]pyrimidin-2-yl]-methylamino]propan-1-ol?
The canonical SMILES for 2-[[5-[(cyclopropylamino)methyl]pyrimidin-2-yl]-methylamino]propan-1-ol is CC(CO)N(C)c1ncc(CNC2CC2)cn1.
What is the InChIKey of 2-[[5-[(cyclopropylamino)methyl]pyrimidin-2-yl]-methylamino]propan-1-ol?
The InChIKey is DBZRVMQYLBMDIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-9(8-17)16(2)12-14-6-10(7-15-12)5-13-11-3-4-11/h6-7,9,11,13,17H,3-5,8H2,1-2H3.
What are the key properties of 2-[[5-[(cyclopropylamino)methyl]pyrimidin-2-yl]-methylamino]propan-1-ol?
2-[[5-[(cyclopropylamino)methyl]pyrimidin-2-yl]-methylamino]propan-1-ol has a molecular weight of 236.32 g/mol, XLogP of 0.55, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[(cyclopropylamino)methyl]pyrimidin-2-yl]-methylamino]propan-1-ol is sourced from PubChem (CID 104552865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).