N-[3-[[(4-methoxypyrimidin-2-yl)amino]methyl]phenyl]-2-methylpropanamide

C16H20N4O2 — CID 31663783

IUPACN-[3-[[(4-methoxypyrimidin-2-yl)amino]methyl]phenyl]-2-methylpropanamide
SMILESCOc1ccnc(NCc2cccc(NC(=O)C(C)C)c2)n1
InChIInChI=1S/C16H20N4O2/c1-11(2)15(21)19-13-6-4-5-12(9-13)10-18-16-17-8-7-14(20-16)22-3/h4-9,11H,10H2,1-3H3,(H,19,21)(H,17,18,20)
InChIKeyKIKVCNKWIPYECG-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.69
Rot. Bonds6

About N-[3-[[(4-methoxypyrimidin-2-yl)amino]methyl]phenyl]-2-methylpropanamide

N-[3-[[(4-methoxypyrimidin-2-yl)amino]methyl]phenyl]-2-methylpropanamide (PubChem CID 31663783) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-[3-[[(4-methoxypyrimidin-2-yl)amino]methyl]phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[3-[[(4-methoxypyrimidin-2-yl)amino]methyl]phenyl]-2-methylpropanamide
PubChem CID31663783
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC NameN-[3-[[(4-methoxypyrimidin-2-yl)amino]methyl]phenyl]-2-methylpropanamide
SMILESCOc1ccnc(NCc2cccc(NC(=O)C(C)C)c2)n1
InChIInChI=1S/C16H20N4O2/c1-11(2)15(21)19-13-6-4-5-12(9-13)10-18-16-17-8-7-14(20-16)22-3/h4-9,11H,10H2,1-3H3,(H,19,21)(H,17,18,20)
InChIKeyKIKVCNKWIPYECG-UHFFFAOYSA-N
XLogP2.69
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(1R)-1-[4-[[(4-methoxypyrimidin-2-yl)amino]methyl]phenyl]ethanol
CID 94197015
N-[3-(aminomethyl)phenyl]-2-methylpropanamide
CID 16773966
4-methoxy-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrimidin-2-amine
CID 115586120
ethyl N-[[3-(2-methylpropanoylamino)phenyl]methyl]carbamate
CID 60727389
[3-(2-methylpropanoylamino)phenyl]methyl 2-methylpropanoate
CID 58730762
N-[3-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylamino]phenyl]-2-methylpropanamide
CID 19644382
N-(4-methoxypyrimidin-2-yl)-N'-propan-2-ylethane-1,2-diamine
CID 62664484
N-[3-[2-(tert-butylamino)-2-oxoethyl]phenyl]-2-methylpropanamide
CID 57199320
N-(4-methoxypyrimidin-2-yl)-3-methylbutanamide
CID 130219531
3-chloro-2-methyl-N-[[3-(2-methylpropanoylamino)phenyl]methyl]propanamide
CID 62728650
2-methyl-N-[3-[(6-methyl-3-pyridinyl)methylamino]phenyl]propanamide
CID 104749408
N-[3-(ethoxymethyl)phenyl]-4-methoxypyrimidin-2-amine
CID 133285444

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(4-methoxypyrimidin-2-yl)amino]methyl]phenyl]-2-methylpropanamide?
The IUPAC name of N-[3-[[(4-methoxypyrimidin-2-yl)amino]methyl]phenyl]-2-methylpropanamide (CID 31663783) is N-[3-[[(4-methoxypyrimidin-2-yl)amino]methyl]phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[3-[[(4-methoxypyrimidin-2-yl)amino]methyl]phenyl]-2-methylpropanamide?
The canonical SMILES for N-[3-[[(4-methoxypyrimidin-2-yl)amino]methyl]phenyl]-2-methylpropanamide is COc1ccnc(NCc2cccc(NC(=O)C(C)C)c2)n1.
What is the InChIKey of N-[3-[[(4-methoxypyrimidin-2-yl)amino]methyl]phenyl]-2-methylpropanamide?
The InChIKey is KIKVCNKWIPYECG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-11(2)15(21)19-13-6-4-5-12(9-13)10-18-16-17-8-7-14(20-16)22-3/h4-9,11H,10H2,1-3H3,(H,19,21)(H,17,18,20).
What are the key properties of N-[3-[[(4-methoxypyrimidin-2-yl)amino]methyl]phenyl]-2-methylpropanamide?
N-[3-[[(4-methoxypyrimidin-2-yl)amino]methyl]phenyl]-2-methylpropanamide has a molecular weight of 300.36 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(4-methoxypyrimidin-2-yl)amino]methyl]phenyl]-2-methylpropanamide is sourced from PubChem (CID 31663783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).