4-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-5-methylpyrimidine-2,4-diamine

C12H20N4O — CID 114113423

IUPAC4-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-5-methylpyrimidine-2,4-diamine
SMILESCOCCC1(CNc2nc(N)ncc2C)CC1
InChIInChI=1S/C12H20N4O/c1-9-7-14-11(13)16-10(9)15-8-12(3-4-12)5-6-17-2/h7H,3-6,8H2,1-2H3,(H3,13,14,15,16)
InChIKeyWRKQEVPFBFMOBP-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.60
Rot. Bonds6

About 4-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-5-methylpyrimidine-2,4-diamine

4-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-5-methylpyrimidine-2,4-diamine (PubChem CID 114113423) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 4-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-5-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-5-methylpyrimidine-2,4-diamine
PubChem CID114113423
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name4-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-5-methylpyrimidine-2,4-diamine
SMILESCOCCC1(CNc2nc(N)ncc2C)CC1
InChIInChI=1S/C12H20N4O/c1-9-7-14-11(13)16-10(9)15-8-12(3-4-12)5-6-17-2/h7H,3-6,8H2,1-2H3,(H3,13,14,15,16)
InChIKeyWRKQEVPFBFMOBP-UHFFFAOYSA-N
XLogP1.60
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-5-methylpyrimidine-4,6-diamine
CID 114113412
[1-[[(2-amino-5-methylpyrimidin-4-yl)amino]methyl]cyclohexyl]methanol
CID 103968719
1-[[(2-amino-5-methylpyrimidin-4-yl)amino]methyl]cycloheptan-1-ol
CID 80843021
2-N-ethyl-5-methyl-4-N-[(1-propylcyclopropyl)methyl]pyrimidine-2,4-diamine
CID 114102554
4-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-5-methylpyrimidine-2,4-diamine
CID 80825681
1-[[(2-amino-5-methylpyrimidin-4-yl)amino]methyl]-4-ethylcyclohexan-1-ol
CID 80843018
3-[[1-(2-methoxyethyl)cyclopropyl]methylamino]pyrazine-2-carbothioamide
CID 114112950
3-chloro-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]pyridin-2-amine
CID 103794745
1-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-2-methylbenzene-1,4-diamine
CID 114112814
3-[[(2-amino-5-methylpyrimidin-4-yl)amino]methyl]oxolan-3-ol
CID 106103341
3-[[1-(2-methoxyethyl)cyclopropyl]methylamino]pyrazine-2-carbonitrile
CID 103794641
5-methyl-4-N-[(1-morpholin-4-ylcycloheptyl)methyl]pyrimidine-2,4-diamine
CID 72939687

Frequently Asked Questions

What is the IUPAC name of 4-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-5-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-5-methylpyrimidine-2,4-diamine (CID 114113423) is 4-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-5-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-5-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-5-methylpyrimidine-2,4-diamine is COCCC1(CNc2nc(N)ncc2C)CC1.
What is the InChIKey of 4-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-5-methylpyrimidine-2,4-diamine?
The InChIKey is WRKQEVPFBFMOBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-9-7-14-11(13)16-10(9)15-8-12(3-4-12)5-6-17-2/h7H,3-6,8H2,1-2H3,(H3,13,14,15,16).
What are the key properties of 4-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-5-methylpyrimidine-2,4-diamine?
4-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-5-methylpyrimidine-2,4-diamine has a molecular weight of 236.32 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-5-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 114113423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).