5-(aminomethyl)-2-[(dimethylamino)methyl]pyrimidin-4-amine

C8H15N5 — CID 79085948

IUPAC5-(aminomethyl)-2-[(dimethylamino)methyl]pyrimidin-4-amine
SMILESCN(C)Cc1ncc(CN)c(N)n1
InChIInChI=1S/C8H15N5/c1-13(2)5-7-11-4-6(3-9)8(10)12-7/h4H,3,5,9H2,1-2H3,(H2,10,11,12)
InChIKeyKNSZJLDOSGUMTJ-UHFFFAOYSA-N
MW181.24 g/mol
LogP-0.42
Rot. Bonds3

About 5-(aminomethyl)-2-[(dimethylamino)methyl]pyrimidin-4-amine

5-(aminomethyl)-2-[(dimethylamino)methyl]pyrimidin-4-amine (PubChem CID 79085948) has the molecular formula C8H15N5 and a molecular weight of 181.24 g/mol. Its IUPAC name is 5-(aminomethyl)-2-[(dimethylamino)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-(aminomethyl)-2-[(dimethylamino)methyl]pyrimidin-4-amine
PubChem CID79085948
Molecular FormulaC8H15N5
Molecular Weight181.24 g/mol
Exact Mass181.13
IUPAC Name5-(aminomethyl)-2-[(dimethylamino)methyl]pyrimidin-4-amine
SMILESCN(C)Cc1ncc(CN)c(N)n1
InChIInChI=1S/C8H15N5/c1-13(2)5-7-11-4-6(3-9)8(10)12-7/h4H,3,5,9H2,1-2H3,(H2,10,11,12)
InChIKeyKNSZJLDOSGUMTJ-UHFFFAOYSA-N
XLogP-0.42
TPSA81.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-[(dimethylamino)methyl]pyrimidin-4-amine?
The IUPAC name of 5-(aminomethyl)-2-[(dimethylamino)methyl]pyrimidin-4-amine (CID 79085948) is 5-(aminomethyl)-2-[(dimethylamino)methyl]pyrimidin-4-amine.
What is the SMILES notation for 5-(aminomethyl)-2-[(dimethylamino)methyl]pyrimidin-4-amine?
The canonical SMILES for 5-(aminomethyl)-2-[(dimethylamino)methyl]pyrimidin-4-amine is CN(C)Cc1ncc(CN)c(N)n1.
What is the InChIKey of 5-(aminomethyl)-2-[(dimethylamino)methyl]pyrimidin-4-amine?
The InChIKey is KNSZJLDOSGUMTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5/c1-13(2)5-7-11-4-6(3-9)8(10)12-7/h4H,3,5,9H2,1-2H3,(H2,10,11,12).
What are the key properties of 5-(aminomethyl)-2-[(dimethylamino)methyl]pyrimidin-4-amine?
5-(aminomethyl)-2-[(dimethylamino)methyl]pyrimidin-4-amine has a molecular weight of 181.24 g/mol, XLogP of -0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2-[(dimethylamino)methyl]pyrimidin-4-amine is sourced from PubChem (CID 79085948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).