5-[(2,2-dimethylpropylamino)methyl]pyrimidine-2,4-diamine

C10H19N5 — CID 126823901

IUPAC5-[(2,2-dimethylpropylamino)methyl]pyrimidine-2,4-diamine
SMILESCC(C)(C)CNCc1cnc(N)nc1N
InChIInChI=1S/C10H19N5/c1-10(2,3)6-13-4-7-5-14-9(12)15-8(7)11/h5,13H,4,6H2,1-3H3,(H4,11,12,14,15)
InChIKeyRSZHMGXSKDACGW-UHFFFAOYSA-N
MW209.30 g/mol
LogP0.78
Rot. Bonds3

About 5-[(2,2-dimethylpropylamino)methyl]pyrimidine-2,4-diamine

5-[(2,2-dimethylpropylamino)methyl]pyrimidine-2,4-diamine (PubChem CID 126823901) has the molecular formula C10H19N5 and a molecular weight of 209.30 g/mol. Its IUPAC name is 5-[(2,2-dimethylpropylamino)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[(2,2-dimethylpropylamino)methyl]pyrimidine-2,4-diamine
PubChem CID126823901
Molecular FormulaC10H19N5
Molecular Weight209.30 g/mol
Exact Mass209.16
IUPAC Name5-[(2,2-dimethylpropylamino)methyl]pyrimidine-2,4-diamine
SMILESCC(C)(C)CNCc1cnc(N)nc1N
InChIInChI=1S/C10H19N5/c1-10(2,3)6-13-4-7-5-14-9(12)15-8(7)11/h5,13H,4,6H2,1-3H3,(H4,11,12,14,15)
InChIKeyRSZHMGXSKDACGW-UHFFFAOYSA-N
XLogP0.78
TPSA89.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.30
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,2-dimethylpropylamino)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-[(2,2-dimethylpropylamino)methyl]pyrimidine-2,4-diamine (CID 126823901) is 5-[(2,2-dimethylpropylamino)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-[(2,2-dimethylpropylamino)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-[(2,2-dimethylpropylamino)methyl]pyrimidine-2,4-diamine is CC(C)(C)CNCc1cnc(N)nc1N.
What is the InChIKey of 5-[(2,2-dimethylpropylamino)methyl]pyrimidine-2,4-diamine?
The InChIKey is RSZHMGXSKDACGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5/c1-10(2,3)6-13-4-7-5-14-9(12)15-8(7)11/h5,13H,4,6H2,1-3H3,(H4,11,12,14,15).
What are the key properties of 5-[(2,2-dimethylpropylamino)methyl]pyrimidine-2,4-diamine?
5-[(2,2-dimethylpropylamino)methyl]pyrimidine-2,4-diamine has a molecular weight of 209.30 g/mol, XLogP of 0.78, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,2-dimethylpropylamino)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 126823901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).