4-N-[1-(diethylamino)propan-2-yl]-2-methylpyrimidine-4,6-diamine

C12H23N5 — CID 80815883

IUPAC4-N-[1-(diethylamino)propan-2-yl]-2-methylpyrimidine-4,6-diamine
SMILESCCN(CC)CC(C)Nc1cc(N)nc(C)n1
InChIInChI=1S/C12H23N5/c1-5-17(6-2)8-9(3)14-12-7-11(13)15-10(4)16-12/h7,9H,5-6,8H2,1-4H3,(H3,13,14,15,16)
InChIKeyGVUQFKRVKXWWSN-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.51
Rot. Bonds6

About 4-N-[1-(diethylamino)propan-2-yl]-2-methylpyrimidine-4,6-diamine

4-N-[1-(diethylamino)propan-2-yl]-2-methylpyrimidine-4,6-diamine (PubChem CID 80815883) has the molecular formula C12H23N5 and a molecular weight of 237.35 g/mol. Its IUPAC name is 4-N-[1-(diethylamino)propan-2-yl]-2-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[1-(diethylamino)propan-2-yl]-2-methylpyrimidine-4,6-diamine
PubChem CID80815883
Molecular FormulaC12H23N5
Molecular Weight237.35 g/mol
Exact Mass237.20
IUPAC Name4-N-[1-(diethylamino)propan-2-yl]-2-methylpyrimidine-4,6-diamine
SMILESCCN(CC)CC(C)Nc1cc(N)nc(C)n1
InChIInChI=1S/C12H23N5/c1-5-17(6-2)8-9(3)14-12-7-11(13)15-10(4)16-12/h7,9H,5-6,8H2,1-4H3,(H3,13,14,15,16)
InChIKeyGVUQFKRVKXWWSN-UHFFFAOYSA-N
XLogP1.51
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-[1-(diethylamino)propan-2-yl]-2-propan-2-ylpyrimidine-4,6-diamine
CID 80957518
2-methyl-4-N-(5-methylhexan-2-yl)pyrimidine-4,6-diamine
CID 80838338
4-N-[2-(diethylamino)ethyl]-2-methylpyrimidine-4,6-diamine
CID 76852081
4-N-[(2S)-1-methoxypropan-2-yl]-2-methylpyrimidine-4,6-diamine
CID 129372111
4-N-[5-(diethylamino)pentan-2-yl]pyrimidine-2,4,6-triamine
CID 80785658
N-[(2S)-butan-2-yl]-6-chloro-2-methylpyrimidin-4-amine
CID 94454151
4-N-[1-(dimethylamino)propan-2-yl]-6-N,2-dimethylpyrimidine-4,6-diamine
CID 82949807
2-[(6-amino-2-methylpyrimidin-4-yl)amino]propanamide
CID 80788207
4-N-[1-(diethylamino)propan-2-yl]-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564798
2-methyl-4-N-(1-phenylpropyl)pyrimidine-4,6-diamine
CID 80822605
4-N-[2-(dimethylamino)ethyl]-2-methylpyrimidine-4,6-diamine
CID 80769589
6-[1-(diethylamino)propan-2-ylamino]pyridazine-3-carboxamide
CID 79098153

Frequently Asked Questions

What is the IUPAC name of 4-N-[1-(diethylamino)propan-2-yl]-2-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[1-(diethylamino)propan-2-yl]-2-methylpyrimidine-4,6-diamine (CID 80815883) is 4-N-[1-(diethylamino)propan-2-yl]-2-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[1-(diethylamino)propan-2-yl]-2-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[1-(diethylamino)propan-2-yl]-2-methylpyrimidine-4,6-diamine is CCN(CC)CC(C)Nc1cc(N)nc(C)n1.
What is the InChIKey of 4-N-[1-(diethylamino)propan-2-yl]-2-methylpyrimidine-4,6-diamine?
The InChIKey is GVUQFKRVKXWWSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5/c1-5-17(6-2)8-9(3)14-12-7-11(13)15-10(4)16-12/h7,9H,5-6,8H2,1-4H3,(H3,13,14,15,16).
What are the key properties of 4-N-[1-(diethylamino)propan-2-yl]-2-methylpyrimidine-4,6-diamine?
4-N-[1-(diethylamino)propan-2-yl]-2-methylpyrimidine-4,6-diamine has a molecular weight of 237.35 g/mol, XLogP of 1.51, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1-(diethylamino)propan-2-yl]-2-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 80815883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).