2-(2-methoxypropylamino)-6-methylpyrimidine-4-carboximidamide

C10H17N5O — CID 107550711

IUPAC2-(2-methoxypropylamino)-6-methylpyrimidine-4-carboximidamide
SMILES[H]/N=C(\N)c1cc(C)nc(NCC(C)OC)n1
InChIInChI=1S/C10H17N5O/c1-6-4-8(9(11)12)15-10(14-6)13-5-7(2)16-3/h4,7H,5H2,1-3H3,(H3,11,12)(H,13,14,15)
InChIKeyCQRRYGVZRYUUMM-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.52
Rot. Bonds5

About 2-(2-methoxypropylamino)-6-methylpyrimidine-4-carboximidamide

2-(2-methoxypropylamino)-6-methylpyrimidine-4-carboximidamide (PubChem CID 107550711) has the molecular formula C10H17N5O and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-(2-methoxypropylamino)-6-methylpyrimidine-4-carboximidamide.

Molecular Properties

Compound Name2-(2-methoxypropylamino)-6-methylpyrimidine-4-carboximidamide
PubChem CID107550711
Molecular FormulaC10H17N5O
Molecular Weight223.28 g/mol
Exact Mass223.14
IUPAC Name2-(2-methoxypropylamino)-6-methylpyrimidine-4-carboximidamide
SMILES[H]/N=C(\N)c1cc(C)nc(NCC(C)OC)n1
InChIInChI=1S/C10H17N5O/c1-6-4-8(9(11)12)15-10(14-6)13-5-7(2)16-3/h4,7H,5H2,1-3H3,(H3,11,12)(H,13,14,15)
InChIKeyCQRRYGVZRYUUMM-UHFFFAOYSA-N
XLogP0.52
TPSA96.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-(2-methoxypropylamino)-6-methylpyridine-3-carboximidamide
CID 102698441
5-(2-methoxypropylamino)pyrazine-2-carboximidamide
CID 102698449
N-(2-methoxypropyl)-4-methyl-6-propan-2-yloxypyrimidin-2-amine
CID 102698965
6-methyl-2-pentan-2-yloxypyrimidine-4-carboximidamide
CID 107551256
2-(2,3-dimethylbutylamino)-6-methylpyrimidine-4-carbothioamide
CID 107547586
3-(2-methoxypropylamino)-5,6-dimethylpyridazine-4-carboximidamide
CID 102698434
2-[bis(2-methylpropyl)amino]-6-methylpyrimidine-4-carboximidamide
CID 107550214
2-[3-hydroxybutyl(methyl)amino]-6-methylpyrimidine-4-carboximidamide
CID 107550677
2-(3-methoxypropoxy)-6-methylpyrimidine-4-carboximidamide
CID 107551032
2-(2-methoxypropylamino)-4,6-dimethylpyridine-3-carbothioamide
CID 102698288
6-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidine-4-carboximidamide
CID 107551174
6-methyl-2-[methyl(2-propan-2-yloxyethyl)amino]pyrimidine-4-carboximidamide
CID 107550627

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxypropylamino)-6-methylpyrimidine-4-carboximidamide?
The IUPAC name of 2-(2-methoxypropylamino)-6-methylpyrimidine-4-carboximidamide (CID 107550711) is 2-(2-methoxypropylamino)-6-methylpyrimidine-4-carboximidamide.
What is the SMILES notation for 2-(2-methoxypropylamino)-6-methylpyrimidine-4-carboximidamide?
The canonical SMILES for 2-(2-methoxypropylamino)-6-methylpyrimidine-4-carboximidamide is [H]/N=C(\N)c1cc(C)nc(NCC(C)OC)n1.
What is the InChIKey of 2-(2-methoxypropylamino)-6-methylpyrimidine-4-carboximidamide?
The InChIKey is CQRRYGVZRYUUMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O/c1-6-4-8(9(11)12)15-10(14-6)13-5-7(2)16-3/h4,7H,5H2,1-3H3,(H3,11,12)(H,13,14,15).
What are the key properties of 2-(2-methoxypropylamino)-6-methylpyrimidine-4-carboximidamide?
2-(2-methoxypropylamino)-6-methylpyrimidine-4-carboximidamide has a molecular weight of 223.28 g/mol, XLogP of 0.52, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxypropylamino)-6-methylpyrimidine-4-carboximidamide is sourced from PubChem (CID 107550711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).