4-N-[(2S)-3-[ethyl(methyl)amino]-2-methylpropyl]-5,6-dimethylpyrimidine-2,4-diamine

C13H25N5 — CID 97122056

IUPAC4-N-[(2S)-3-[ethyl(methyl)amino]-2-methylpropyl]-5,6-dimethylpyrimidine-2,4-diamine
SMILESCCN(C)C[C@@H](C)CNc1nc(N)nc(C)c1C
InChIInChI=1S/C13H25N5/c1-6-18(5)8-9(2)7-15-12-10(3)11(4)16-13(14)17-12/h9H,6-8H2,1-5H3,(H3,14,15,16,17)/t9-/m0/s1
InChIKeyNNPXTWJQIUJPFW-VIFPVBQESA-N
MW251.38 g/mol
LogP1.68
Rot. Bonds6

About 4-N-[(2S)-3-[ethyl(methyl)amino]-2-methylpropyl]-5,6-dimethylpyrimidine-2,4-diamine

4-N-[(2S)-3-[ethyl(methyl)amino]-2-methylpropyl]-5,6-dimethylpyrimidine-2,4-diamine (PubChem CID 97122056) has the molecular formula C13H25N5 and a molecular weight of 251.38 g/mol. Its IUPAC name is 4-N-[(2S)-3-[ethyl(methyl)amino]-2-methylpropyl]-5,6-dimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[(2S)-3-[ethyl(methyl)amino]-2-methylpropyl]-5,6-dimethylpyrimidine-2,4-diamine
PubChem CID97122056
Molecular FormulaC13H25N5
Molecular Weight251.38 g/mol
Exact Mass251.21
IUPAC Name4-N-[(2S)-3-[ethyl(methyl)amino]-2-methylpropyl]-5,6-dimethylpyrimidine-2,4-diamine
SMILESCCN(C)C[C@@H](C)CNc1nc(N)nc(C)c1C
InChIInChI=1S/C13H25N5/c1-6-18(5)8-9(2)7-15-12-10(3)11(4)16-13(14)17-12/h9H,6-8H2,1-5H3,(H3,14,15,16,17)/t9-/m0/s1
InChIKeyNNPXTWJQIUJPFW-VIFPVBQESA-N
XLogP1.68
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.38
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-[(2S)-3-[ethyl(methyl)amino]-2-methylpropyl]-5,6-dimethylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[(2S)-3-[ethyl(methyl)amino]-2-methylpropyl]-5,6-dimethylpyrimidine-2,4-diamine (CID 97122056) is 4-N-[(2S)-3-[ethyl(methyl)amino]-2-methylpropyl]-5,6-dimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[(2S)-3-[ethyl(methyl)amino]-2-methylpropyl]-5,6-dimethylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[(2S)-3-[ethyl(methyl)amino]-2-methylpropyl]-5,6-dimethylpyrimidine-2,4-diamine is CCN(C)C[C@@H](C)CNc1nc(N)nc(C)c1C.
What is the InChIKey of 4-N-[(2S)-3-[ethyl(methyl)amino]-2-methylpropyl]-5,6-dimethylpyrimidine-2,4-diamine?
The InChIKey is NNPXTWJQIUJPFW-VIFPVBQESA-N. The full InChI is InChI=1S/C13H25N5/c1-6-18(5)8-9(2)7-15-12-10(3)11(4)16-13(14)17-12/h9H,6-8H2,1-5H3,(H3,14,15,16,17)/t9-/m0/s1.
What are the key properties of 4-N-[(2S)-3-[ethyl(methyl)amino]-2-methylpropyl]-5,6-dimethylpyrimidine-2,4-diamine?
4-N-[(2S)-3-[ethyl(methyl)amino]-2-methylpropyl]-5,6-dimethylpyrimidine-2,4-diamine has a molecular weight of 251.38 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2S)-3-[ethyl(methyl)amino]-2-methylpropyl]-5,6-dimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 97122056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).