N-(2-methoxyethyl)-2-methyl-6-[(2R)-1-[(4-methylphenyl)methyl]azetidin-2-yl]pyrimidin-4-amine

C19H26N4O — CID 95847329

IUPACN-(2-methoxyethyl)-2-methyl-6-[(2R)-1-[(4-methylphenyl)methyl]azetidin-2-yl]pyrimidin-4-amine
SMILESCOCCNc1cc([C@H]2CCN2Cc2ccc(C)cc2)nc(C)n1
InChIInChI=1S/C19H26N4O/c1-14-4-6-16(7-5-14)13-23-10-8-18(23)17-12-19(20-9-11-24-3)22-15(2)21-17/h4-7,12,18H,8-11,13H2,1-3H3,(H,20,21,22)/t18-/m1/s1
InChIKeyXZXOOAJYIDCITA-GOSISDBHSA-N
MW326.44 g/mol
LogP3.10
Rot. Bonds7

About N-(2-methoxyethyl)-2-methyl-6-[(2R)-1-[(4-methylphenyl)methyl]azetidin-2-yl]pyrimidin-4-amine

N-(2-methoxyethyl)-2-methyl-6-[(2R)-1-[(4-methylphenyl)methyl]azetidin-2-yl]pyrimidin-4-amine (PubChem CID 95847329) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-methyl-6-[(2R)-1-[(4-methylphenyl)methyl]azetidin-2-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-methyl-6-[(2R)-1-[(4-methylphenyl)methyl]azetidin-2-yl]pyrimidin-4-amine
PubChem CID95847329
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC NameN-(2-methoxyethyl)-2-methyl-6-[(2R)-1-[(4-methylphenyl)methyl]azetidin-2-yl]pyrimidin-4-amine
SMILESCOCCNc1cc([C@H]2CCN2Cc2ccc(C)cc2)nc(C)n1
InChIInChI=1S/C19H26N4O/c1-14-4-6-16(7-5-14)13-23-10-8-18(23)17-12-19(20-9-11-24-3)22-15(2)21-17/h4-7,12,18H,8-11,13H2,1-3H3,(H,20,21,22)/t18-/m1/s1
InChIKeyXZXOOAJYIDCITA-GOSISDBHSA-N
XLogP3.10
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.10
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

6-[(2S)-1-benzylazetidin-2-yl]-N-(2-methoxyethyl)-2-methylpyrimidin-4-amine
CID 95847281
4-N-cyclopropyl-6-N-(2-methoxyethyl)-2-methylpyrimidine-4,6-diamine
CID 112867448
6-[(2S)-1-[(4-methoxyphenyl)methyl]azetidin-2-yl]-2-methylpyrimidin-4-amine
CID 95847401
2-[4-[[(2R)-2-[6-(ethylamino)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]methyl]phenoxy]acetic acid
CID 124954262
4-[[(2S)-2-(6-amino-2-methylpyrimidin-4-yl)azetidin-1-yl]methyl]phenol
CID 95847351
N-(2-methoxyethyl)-2-methyl-6-piperidin-3-ylpyrimidin-4-amine
CID 175657002
N-(2-methoxyethyl)-2-methyl-6-(4-methylmorpholin-2-yl)pyrimidin-4-amine
CID 110271353
6-(2-methoxyethylamino)-2-methyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109364634
6-[(2R)-1-(2-methoxyethyl)azetidin-2-yl]-2-methylpyrimidin-4-amine
CID 95847238
1-[(2S)-2-[6-[(4-methoxyphenyl)methylamino]-2-methylpyrimidin-4-yl]azetidin-1-yl]ethanone
CID 95847449
N-(2-methoxyethyl)-2-methyl-6-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrimidin-4-amine
CID 95825107
6-hydrazinyl-N-(2-methoxyethyl)-2-methylpyrimidin-4-amine
CID 80932180

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-methyl-6-[(2R)-1-[(4-methylphenyl)methyl]azetidin-2-yl]pyrimidin-4-amine?
The IUPAC name of N-(2-methoxyethyl)-2-methyl-6-[(2R)-1-[(4-methylphenyl)methyl]azetidin-2-yl]pyrimidin-4-amine (CID 95847329) is N-(2-methoxyethyl)-2-methyl-6-[(2R)-1-[(4-methylphenyl)methyl]azetidin-2-yl]pyrimidin-4-amine.
What is the SMILES notation for N-(2-methoxyethyl)-2-methyl-6-[(2R)-1-[(4-methylphenyl)methyl]azetidin-2-yl]pyrimidin-4-amine?
The canonical SMILES for N-(2-methoxyethyl)-2-methyl-6-[(2R)-1-[(4-methylphenyl)methyl]azetidin-2-yl]pyrimidin-4-amine is COCCNc1cc([C@H]2CCN2Cc2ccc(C)cc2)nc(C)n1.
What is the InChIKey of N-(2-methoxyethyl)-2-methyl-6-[(2R)-1-[(4-methylphenyl)methyl]azetidin-2-yl]pyrimidin-4-amine?
The InChIKey is XZXOOAJYIDCITA-GOSISDBHSA-N. The full InChI is InChI=1S/C19H26N4O/c1-14-4-6-16(7-5-14)13-23-10-8-18(23)17-12-19(20-9-11-24-3)22-15(2)21-17/h4-7,12,18H,8-11,13H2,1-3H3,(H,20,21,22)/t18-/m1/s1.
What are the key properties of N-(2-methoxyethyl)-2-methyl-6-[(2R)-1-[(4-methylphenyl)methyl]azetidin-2-yl]pyrimidin-4-amine?
N-(2-methoxyethyl)-2-methyl-6-[(2R)-1-[(4-methylphenyl)methyl]azetidin-2-yl]pyrimidin-4-amine has a molecular weight of 326.44 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-methyl-6-[(2R)-1-[(4-methylphenyl)methyl]azetidin-2-yl]pyrimidin-4-amine is sourced from PubChem (CID 95847329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).