4-N-[(3-methylphenyl)methyl]-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine

C18H25N5O — CID 112887443

IUPAC4-N-[(3-methylphenyl)methyl]-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
SMILESCc1cccc(CNc2ccnc(NCCN3CCOCC3)n2)c1
InChIInChI=1S/C18H25N5O/c1-15-3-2-4-16(13-15)14-21-17-5-6-19-18(22-17)20-7-8-23-9-11-24-12-10-23/h2-6,13H,7-12,14H2,1H3,(H2,19,20,21,22)
InChIKeyQGYFBTAXRAUPJU-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.14
Rot. Bonds7

About 4-N-[(3-methylphenyl)methyl]-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine

4-N-[(3-methylphenyl)methyl]-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine (PubChem CID 112887443) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is 4-N-[(3-methylphenyl)methyl]-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[(3-methylphenyl)methyl]-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
PubChem CID112887443
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name4-N-[(3-methylphenyl)methyl]-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
SMILESCc1cccc(CNc2ccnc(NCCN3CCOCC3)n2)c1
InChIInChI=1S/C18H25N5O/c1-15-3-2-4-16(13-15)14-21-17-5-6-19-18(22-17)20-7-8-23-9-11-24-12-10-23/h2-6,13H,7-12,14H2,1H3,(H2,19,20,21,22)
InChIKeyQGYFBTAXRAUPJU-UHFFFAOYSA-N
XLogP2.14
TPSA62.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-N,4-N-bis(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112887262
4-N-[2-(3-methoxyphenyl)ethyl]-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112887463
4-[4-(3-methylphenyl)piperazin-1-yl]-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine
CID 112887479
4-N-[2,6-di(propan-2-yl)phenyl]-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112887559
2-N-[2-(cyclohexen-1-yl)ethyl]-4-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112885542
2-N-(4-methylphenyl)-4-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112890029
4-N-[(3-methylphenyl)methyl]-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112889977
2-N-[2-(3-chlorophenyl)ethyl]-4-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112890023
2-N-(3,4-dimethylphenyl)-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112887341
2-N-(2,6-difluorophenyl)-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112887432
4-N-cyclopropyl-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112882231
4-N-[(3-methylphenyl)methyl]-2-N-prop-2-enylpyrimidine-2,4-diamine
CID 112882676

Frequently Asked Questions

What is the IUPAC name of 4-N-[(3-methylphenyl)methyl]-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-[(3-methylphenyl)methyl]-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine (CID 112887443) is 4-N-[(3-methylphenyl)methyl]-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[(3-methylphenyl)methyl]-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[(3-methylphenyl)methyl]-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine is Cc1cccc(CNc2ccnc(NCCN3CCOCC3)n2)c1.
What is the InChIKey of 4-N-[(3-methylphenyl)methyl]-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine?
The InChIKey is QGYFBTAXRAUPJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-15-3-2-4-16(13-15)14-21-17-5-6-19-18(22-17)20-7-8-23-9-11-24-12-10-23/h2-6,13H,7-12,14H2,1H3,(H2,19,20,21,22).
What are the key properties of 4-N-[(3-methylphenyl)methyl]-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine?
4-N-[(3-methylphenyl)methyl]-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine has a molecular weight of 327.43 g/mol, XLogP of 2.14, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(3-methylphenyl)methyl]-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112887443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).