2-[(5-aminopyrimidin-2-yl)-methylamino]propan-1-ol

C8H14N4O — CID 104551057

IUPAC2-[(5-aminopyrimidin-2-yl)-methylamino]propan-1-ol
SMILESCC(CO)N(C)c1ncc(N)cn1
InChIInChI=1S/C8H14N4O/c1-6(5-13)12(2)8-10-3-7(9)4-11-8/h3-4,6,13H,5,9H2,1-2H3
InChIKeyKCEJMPYOIAHYNX-UHFFFAOYSA-N
MW182.23 g/mol
LogP-0.12
Rot. Bonds3

About 2-[(5-aminopyrimidin-2-yl)-methylamino]propan-1-ol

2-[(5-aminopyrimidin-2-yl)-methylamino]propan-1-ol (PubChem CID 104551057) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is 2-[(5-aminopyrimidin-2-yl)-methylamino]propan-1-ol.

Molecular Properties

Compound Name2-[(5-aminopyrimidin-2-yl)-methylamino]propan-1-ol
PubChem CID104551057
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name2-[(5-aminopyrimidin-2-yl)-methylamino]propan-1-ol
SMILESCC(CO)N(C)c1ncc(N)cn1
InChIInChI=1S/C8H14N4O/c1-6(5-13)12(2)8-10-3-7(9)4-11-8/h3-4,6,13H,5,9H2,1-2H3
InChIKeyKCEJMPYOIAHYNX-UHFFFAOYSA-N
XLogP-0.12
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-methyl-2-N-pentan-2-ylpyrimidine-2,5-diamine
CID 61145457
2-[[5-[(cyclopropylamino)methyl]pyrimidin-2-yl]-methylamino]propan-1-ol
CID 104552865
2-N-methyl-2-N-(5-methylpyrimidin-2-yl)propane-1,2-diamine
CID 104556690
2-N-(2-methylpropyl)-2-N-pentan-3-ylpyrimidine-2,5-diamine
CID 79483689
2-[methyl-(4-methylpyrimidin-2-yl)amino]propan-1-ol
CID 115765259
2-[[5-(1-aminoethyl)-2-pyridinyl]-methylamino]propan-1-ol
CID 104552403
2-[(3-amino-2-pyridinyl)-methylamino]propan-1-ol
CID 104551058
3-N-(5-bromopyrimidin-2-yl)-3-N-methylbutane-1,3-diamine
CID 63873576
2-[[4-(aminomethyl)-6-methylpyrimidin-2-yl]-methylamino]propan-1-ol
CID 107542229
2-[(6-amino-5-propan-2-ylpyrimidin-4-yl)-methylamino]propan-1-ol
CID 104557069
2-N,2-N-bis(3-methylbutyl)pyrimidine-2,5-diamine
CID 114011099
N'-hydroxy-3-[methyl-(5-methylpyrimidin-2-yl)amino]butanimidamide
CID 76987771

Frequently Asked Questions

What is the IUPAC name of 2-[(5-aminopyrimidin-2-yl)-methylamino]propan-1-ol?
The IUPAC name of 2-[(5-aminopyrimidin-2-yl)-methylamino]propan-1-ol (CID 104551057) is 2-[(5-aminopyrimidin-2-yl)-methylamino]propan-1-ol.
What is the SMILES notation for 2-[(5-aminopyrimidin-2-yl)-methylamino]propan-1-ol?
The canonical SMILES for 2-[(5-aminopyrimidin-2-yl)-methylamino]propan-1-ol is CC(CO)N(C)c1ncc(N)cn1.
What is the InChIKey of 2-[(5-aminopyrimidin-2-yl)-methylamino]propan-1-ol?
The InChIKey is KCEJMPYOIAHYNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c1-6(5-13)12(2)8-10-3-7(9)4-11-8/h3-4,6,13H,5,9H2,1-2H3.
What are the key properties of 2-[(5-aminopyrimidin-2-yl)-methylamino]propan-1-ol?
2-[(5-aminopyrimidin-2-yl)-methylamino]propan-1-ol has a molecular weight of 182.23 g/mol, XLogP of -0.12, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-aminopyrimidin-2-yl)-methylamino]propan-1-ol is sourced from PubChem (CID 104551057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).