4-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-5-methylpyrimidine-4,6-diamine

C12H20N4O — CID 114113412

IUPAC4-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-5-methylpyrimidine-4,6-diamine
SMILESCOCCC1(CNc2ncnc(N)c2C)CC1
InChIInChI=1S/C12H20N4O/c1-9-10(13)15-8-16-11(9)14-7-12(3-4-12)5-6-17-2/h8H,3-7H2,1-2H3,(H3,13,14,15,16)
InChIKeyCBWMUERDMDSAGP-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.60
Rot. Bonds6

About 4-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-5-methylpyrimidine-4,6-diamine

4-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-5-methylpyrimidine-4,6-diamine (PubChem CID 114113412) 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-4,6-diamine.

Molecular Properties

Compound Name4-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-5-methylpyrimidine-4,6-diamine
PubChem CID114113412
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name4-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-5-methylpyrimidine-4,6-diamine
SMILESCOCCC1(CNc2ncnc(N)c2C)CC1
InChIInChI=1S/C12H20N4O/c1-9-10(13)15-8-16-11(9)14-7-12(3-4-12)5-6-17-2/h8H,3-7H2,1-2H3,(H3,13,14,15,16)
InChIKeyCBWMUERDMDSAGP-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-2,4-diamine
CID 114113423
4-N-(3-methoxypropyl)-5-methylpyrimidine-4,6-diamine
CID 80772369
N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-3-methylsulfonylpyridin-2-amine
CID 106544677
4-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-6-N-methylpyrimidine-4,6-diamine
CID 114113415
3-[[1-(2-methoxyethyl)cyclopropyl]methylamino]pyrazine-2-carbothioamide
CID 114112950
1-[(6-amino-5-methylpyrimidin-4-yl)amino]-4-methoxy-2-methylbutan-2-ol
CID 106257973
3-chloro-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]pyridin-2-amine
CID 103794745
3-[[1-(2-methoxyethyl)cyclopropyl]methylamino]pyrazine-2-carbonitrile
CID 103794641
5-chloro-4-N-[(1-ethylcyclopentyl)methyl]pyrimidine-4,6-diamine
CID 106812270
[1-[[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]methyl]cyclopropyl]methanol
CID 115457329
1-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-2-methylbenzene-1,4-diamine
CID 114112814
N-[[1-(2-methoxyethyl)cyclopropyl]methyl]thieno[3,2-c]pyridin-4-amine
CID 103794661

Frequently Asked Questions

What is the IUPAC name of 4-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-5-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-5-methylpyrimidine-4,6-diamine (CID 114113412) is 4-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-5-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-5-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-5-methylpyrimidine-4,6-diamine is COCCC1(CNc2ncnc(N)c2C)CC1.
What is the InChIKey of 4-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-5-methylpyrimidine-4,6-diamine?
The InChIKey is CBWMUERDMDSAGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-9-10(13)15-8-16-11(9)14-7-12(3-4-12)5-6-17-2/h8H,3-7H2,1-2H3,(H3,13,14,15,16).
What are the key properties of 4-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-5-methylpyrimidine-4,6-diamine?
4-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-5-methylpyrimidine-4,6-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-4,6-diamine is sourced from PubChem (CID 114113412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).