3-[(2-amino-5-methylpyrimidin-4-yl)-propan-2-ylamino]propan-1-ol

C11H20N4O — CID 80811126

IUPAC3-[(2-amino-5-methylpyrimidin-4-yl)-propan-2-ylamino]propan-1-ol
SMILESCc1cnc(N)nc1N(CCCO)C(C)C
InChIInChI=1S/C11H20N4O/c1-8(2)15(5-4-6-16)10-9(3)7-13-11(12)14-10/h7-8,16H,4-6H2,1-3H3,(H2,12,13,14)
InChIKeyYRCJAZWTYOAGEU-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.96
Rot. Bonds5

About 3-[(2-amino-5-methylpyrimidin-4-yl)-propan-2-ylamino]propan-1-ol

3-[(2-amino-5-methylpyrimidin-4-yl)-propan-2-ylamino]propan-1-ol (PubChem CID 80811126) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 3-[(2-amino-5-methylpyrimidin-4-yl)-propan-2-ylamino]propan-1-ol.

Molecular Properties

Compound Name3-[(2-amino-5-methylpyrimidin-4-yl)-propan-2-ylamino]propan-1-ol
PubChem CID80811126
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name3-[(2-amino-5-methylpyrimidin-4-yl)-propan-2-ylamino]propan-1-ol
SMILESCc1cnc(N)nc1N(CCCO)C(C)C
InChIInChI=1S/C11H20N4O/c1-8(2)15(5-4-6-16)10-9(3)7-13-11(12)14-10/h7-8,16H,4-6H2,1-3H3,(H2,12,13,14)
InChIKeyYRCJAZWTYOAGEU-UHFFFAOYSA-N
XLogP0.96
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-amino-5-methyl-2-pyridinyl)-propan-2-ylamino]propan-1-ol
CID 83266014
3-[(6-amino-5-methylpyrimidin-4-yl)-propan-2-ylamino]propan-1-ol
CID 80811427
3-[(3-amino-6-chloro-2-pyridinyl)-propan-2-ylamino]propan-1-ol
CID 115473977
2-[(2-amino-5-methylpyrimidin-4-yl)-ethylamino]ethanol
CID 80791211
1-[(2-amino-5-methylpyrimidin-4-yl)-methylamino]propan-2-ol
CID 80826755
4-N-ethyl-4-N-(1-methoxypropan-2-yl)-5-methylpyrimidine-2,4-diamine
CID 80815675
3-[(5-amino-1,3-thiazol-2-yl)-propan-2-ylamino]propan-1-ol
CID 102768036
2-[3-hydroxypropyl(propan-2-yl)amino]-4,6-dimethylpyridine-3-carbonitrile
CID 54978706
3-[3-hydroxypropyl(propan-2-yl)amino]pyrazine-2-carbothioamide
CID 62684968
3-[[6-(1-aminoethyl)-3-pyridinyl]-propan-2-ylamino]propan-1-ol
CID 83122766
3-[(5-bromo-3-chloro-2-pyridinyl)-propan-2-ylamino]propan-1-ol
CID 103582964
3-[[5-bromo-2-(ethylamino)pyrimidin-4-yl]-propan-2-ylamino]propan-1-ol
CID 80811125

Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-5-methylpyrimidin-4-yl)-propan-2-ylamino]propan-1-ol?
The IUPAC name of 3-[(2-amino-5-methylpyrimidin-4-yl)-propan-2-ylamino]propan-1-ol (CID 80811126) is 3-[(2-amino-5-methylpyrimidin-4-yl)-propan-2-ylamino]propan-1-ol.
What is the SMILES notation for 3-[(2-amino-5-methylpyrimidin-4-yl)-propan-2-ylamino]propan-1-ol?
The canonical SMILES for 3-[(2-amino-5-methylpyrimidin-4-yl)-propan-2-ylamino]propan-1-ol is Cc1cnc(N)nc1N(CCCO)C(C)C.
What is the InChIKey of 3-[(2-amino-5-methylpyrimidin-4-yl)-propan-2-ylamino]propan-1-ol?
The InChIKey is YRCJAZWTYOAGEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-8(2)15(5-4-6-16)10-9(3)7-13-11(12)14-10/h7-8,16H,4-6H2,1-3H3,(H2,12,13,14).
What are the key properties of 3-[(2-amino-5-methylpyrimidin-4-yl)-propan-2-ylamino]propan-1-ol?
3-[(2-amino-5-methylpyrimidin-4-yl)-propan-2-ylamino]propan-1-ol has a molecular weight of 224.31 g/mol, XLogP of 0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-5-methylpyrimidin-4-yl)-propan-2-ylamino]propan-1-ol is sourced from PubChem (CID 80811126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).