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

C9H16N4O — CID 80826755

IUPAC1-[(2-amino-5-methylpyrimidin-4-yl)-methylamino]propan-2-ol
SMILESCc1cnc(N)nc1N(C)CC(C)O
InChIInChI=1S/C9H16N4O/c1-6-4-11-9(10)12-8(6)13(3)5-7(2)14/h4,7,14H,5H2,1-3H3,(H2,10,11,12)
InChIKeyRCVDIVRDWCCYQN-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.18
Rot. Bonds3

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

1-[(2-amino-5-methylpyrimidin-4-yl)-methylamino]propan-2-ol (PubChem CID 80826755) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 1-[(2-amino-5-methylpyrimidin-4-yl)-methylamino]propan-2-ol.

Molecular Properties

Compound Name1-[(2-amino-5-methylpyrimidin-4-yl)-methylamino]propan-2-ol
PubChem CID80826755
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name1-[(2-amino-5-methylpyrimidin-4-yl)-methylamino]propan-2-ol
SMILESCc1cnc(N)nc1N(C)CC(C)O
InChIInChI=1S/C9H16N4O/c1-6-4-11-9(10)12-8(6)13(3)5-7(2)14/h4,7,14H,5H2,1-3H3,(H2,10,11,12)
InChIKeyRCVDIVRDWCCYQN-UHFFFAOYSA-N
XLogP0.18
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-amino-5-methylpyrimidin-4-yl)-methylamino]propan-2-ol?
The IUPAC name of 1-[(2-amino-5-methylpyrimidin-4-yl)-methylamino]propan-2-ol (CID 80826755) is 1-[(2-amino-5-methylpyrimidin-4-yl)-methylamino]propan-2-ol.
What is the SMILES notation for 1-[(2-amino-5-methylpyrimidin-4-yl)-methylamino]propan-2-ol?
The canonical SMILES for 1-[(2-amino-5-methylpyrimidin-4-yl)-methylamino]propan-2-ol is Cc1cnc(N)nc1N(C)CC(C)O.
What is the InChIKey of 1-[(2-amino-5-methylpyrimidin-4-yl)-methylamino]propan-2-ol?
The InChIKey is RCVDIVRDWCCYQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-6-4-11-9(10)12-8(6)13(3)5-7(2)14/h4,7,14H,5H2,1-3H3,(H2,10,11,12).
What are the key properties of 1-[(2-amino-5-methylpyrimidin-4-yl)-methylamino]propan-2-ol?
1-[(2-amino-5-methylpyrimidin-4-yl)-methylamino]propan-2-ol has a molecular weight of 196.25 g/mol, XLogP of 0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-amino-5-methylpyrimidin-4-yl)-methylamino]propan-2-ol is sourced from PubChem (CID 80826755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).