4,4,6-trimethyl-1H-pyrimidin-3-ium-2-amine

C7H14N3+ — CID 7341913

IUPAC4,4,6-trimethyl-1H-pyrimidin-3-ium-2-amine
SMILESCC1=CC(C)(C)[NH+]=C(N)N1
InChIInChI=1S/C7H13N3/c1-5-4-7(2,3)10-6(8)9-5/h4H,1-3H3,(H3,8,9,10)/p+1
InChIKeyBPAJEVCTCJTYKP-UHFFFAOYSA-O
MW140.21 g/mol
LogP-1.33
Rot. Bonds

About 4,4,6-trimethyl-1H-pyrimidin-3-ium-2-amine

4,4,6-trimethyl-1H-pyrimidin-3-ium-2-amine (PubChem CID 7341913) has the molecular formula C7H14N3+ and a molecular weight of 140.21 g/mol. Its IUPAC name is 4,4,6-trimethyl-1H-pyrimidin-3-ium-2-amine.

Molecular Properties

Compound Name4,4,6-trimethyl-1H-pyrimidin-3-ium-2-amine
PubChem CID7341913
Molecular FormulaC7H14N3+
Molecular Weight140.21 g/mol
Exact Mass140.12
IUPAC Name4,4,6-trimethyl-1H-pyrimidin-3-ium-2-amine
SMILESCC1=CC(C)(C)[NH+]=C(N)N1
InChIInChI=1S/C7H13N3/c1-5-4-7(2,3)10-6(8)9-5/h4H,1-3H3,(H3,8,9,10)/p+1
InChIKeyBPAJEVCTCJTYKP-UHFFFAOYSA-O
XLogP-1.33
TPSA52.02 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.21
LogP ≤ 5-1.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(4,4,6-Trimethyl-1,4-dihydropyrimidin-2-yl)cyanamide
CID 667216
4,4,6-trimethyl-1H-pyrimidin-2-amine
CID 287218
InChI=1/C7H12N2/c1-6-4-7(2,3)9-5-8-6/h4-5H,1-3H3,(H,8,9
CID 5324921
2-Pyrimidinamine, 1,6-dihydro-N,N,4,6,6-pentamethyl-
CID 157034
1,4,6,6-Tetramethylpyrimidin-2-amine
CID 336221
4,6-dimethyl-1H-pyrimidine-2,4-diamine
CID 154451700
ethane;N-ethyl-4,4,6-trimethyl-1,3-dihydropyrimidin-2-imine
CID 167510563
4,4,6-trimethyl-1H-pyrimidin-3-ium-2-thiol
CID 173450814
(5E)-4,4,8-trimethyl-1H-1,3-diazocin-2-amine
CID 173855750
4-ethyl-6-methyl-1H-pyrimidine-2,4-diamine
CID 175809532
(4,4,6-trimethyl-1H-pyrimidin-3-ium-2-yl)cyanamide
CID 7167508
N,4,4,6-tetramethyl-1,3-dihydropyrimidin-2-imine
CID 137197589

Frequently Asked Questions

What is the IUPAC name of 4,4,6-trimethyl-1H-pyrimidin-3-ium-2-amine?
The IUPAC name of 4,4,6-trimethyl-1H-pyrimidin-3-ium-2-amine (CID 7341913) is 4,4,6-trimethyl-1H-pyrimidin-3-ium-2-amine.
What is the SMILES notation for 4,4,6-trimethyl-1H-pyrimidin-3-ium-2-amine?
The canonical SMILES for 4,4,6-trimethyl-1H-pyrimidin-3-ium-2-amine is CC1=CC(C)(C)[NH+]=C(N)N1.
What is the InChIKey of 4,4,6-trimethyl-1H-pyrimidin-3-ium-2-amine?
The InChIKey is BPAJEVCTCJTYKP-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H13N3/c1-5-4-7(2,3)10-6(8)9-5/h4H,1-3H3,(H3,8,9,10)/p+1.
What are the key properties of 4,4,6-trimethyl-1H-pyrimidin-3-ium-2-amine?
4,4,6-trimethyl-1H-pyrimidin-3-ium-2-amine has a molecular weight of 140.21 g/mol, XLogP of -1.33, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,6-trimethyl-1H-pyrimidin-3-ium-2-amine is sourced from PubChem (CID 7341913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).