4-N,4-N-dimethyl-2-N-(3-propan-2-yloxypropyl)pyrimidine-2,4-diamine

C12H22N4O — CID 133381954

IUPAC4-N,4-N-dimethyl-2-N-(3-propan-2-yloxypropyl)pyrimidine-2,4-diamine
SMILESCC(C)OCCCNc1nccc(N(C)C)n1
InChIInChI=1S/C12H22N4O/c1-10(2)17-9-5-7-13-12-14-8-6-11(15-12)16(3)4/h6,8,10H,5,7,9H2,1-4H3,(H,13,14,15)
InChIKeyHAWANMZGCWIAOX-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.77
Rot. Bonds7

About 4-N,4-N-dimethyl-2-N-(3-propan-2-yloxypropyl)pyrimidine-2,4-diamine

4-N,4-N-dimethyl-2-N-(3-propan-2-yloxypropyl)pyrimidine-2,4-diamine (PubChem CID 133381954) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 4-N,4-N-dimethyl-2-N-(3-propan-2-yloxypropyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N,4-N-dimethyl-2-N-(3-propan-2-yloxypropyl)pyrimidine-2,4-diamine
PubChem CID133381954
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name4-N,4-N-dimethyl-2-N-(3-propan-2-yloxypropyl)pyrimidine-2,4-diamine
SMILESCC(C)OCCCNc1nccc(N(C)C)n1
InChIInChI=1S/C12H22N4O/c1-10(2)17-9-5-7-13-12-14-8-6-11(15-12)16(3)4/h6,8,10H,5,7,9H2,1-4H3,(H,13,14,15)
InChIKeyHAWANMZGCWIAOX-UHFFFAOYSA-N
XLogP1.77
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-N-(3-ethoxypropyl)-4-N,4-N-dimethylpyrimidine-2,4-diamine
CID 133381871
4-N-(2-methoxypropyl)-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 112754759
4-N,4-N-dimethyl-2-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]pyrimidine-2,4-diamine
CID 133398596
4-(aminomethyl)-N-(3-propan-2-yloxypropyl)pyridin-2-amine
CID 69247459
N-(4-propan-2-yloxybutyl)quinazolin-2-amine
CID 106012372
4-N,4-N-dimethyl-2-N-[3-(2-methylpiperidin-1-yl)propyl]pyrimidine-2,4-diamine
CID 133383415
4-N-ethyl-2-N-(3-methoxybutyl)-4-N-methylpyrimidine-2,4-diamine
CID 135116152
2-N-[3-(dimethylamino)propyl]-4-N,4-N-dipropylpyrimidine-2,4-diamine
CID 112887794
5-bromo-4-[[[4-(dimethylamino)pyrimidin-2-yl]amino]methyl]-2-methoxyphenol
CID 167973223
5-iodo-N-(4-propan-2-yloxybutyl)pyrimidin-2-amine
CID 104844363
2-N-[2-(4-fluorophenyl)sulfonylethyl]-4-N,4-N-dimethylpyrimidine-2,4-diamine
CID 133383634
4-methyl-2-(4-propan-2-yloxybutylamino)pyrimidine-5-carboxylic acid
CID 106003890

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-dimethyl-2-N-(3-propan-2-yloxypropyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N,4-N-dimethyl-2-N-(3-propan-2-yloxypropyl)pyrimidine-2,4-diamine (CID 133381954) is 4-N,4-N-dimethyl-2-N-(3-propan-2-yloxypropyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N,4-N-dimethyl-2-N-(3-propan-2-yloxypropyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N,4-N-dimethyl-2-N-(3-propan-2-yloxypropyl)pyrimidine-2,4-diamine is CC(C)OCCCNc1nccc(N(C)C)n1.
What is the InChIKey of 4-N,4-N-dimethyl-2-N-(3-propan-2-yloxypropyl)pyrimidine-2,4-diamine?
The InChIKey is HAWANMZGCWIAOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-10(2)17-9-5-7-13-12-14-8-6-11(15-12)16(3)4/h6,8,10H,5,7,9H2,1-4H3,(H,13,14,15).
What are the key properties of 4-N,4-N-dimethyl-2-N-(3-propan-2-yloxypropyl)pyrimidine-2,4-diamine?
4-N,4-N-dimethyl-2-N-(3-propan-2-yloxypropyl)pyrimidine-2,4-diamine has a molecular weight of 238.33 g/mol, XLogP of 1.77, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-dimethyl-2-N-(3-propan-2-yloxypropyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 133381954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).