5-chloro-4-N-[(1-methoxycyclobutyl)methyl]pyrimidine-4,6-diamine

C10H15ClN4O — CID 106812371

IUPAC5-chloro-4-N-[(1-methoxycyclobutyl)methyl]pyrimidine-4,6-diamine
SMILESCOC1(CNc2ncnc(N)c2Cl)CCC1
InChIInChI=1S/C10H15ClN4O/c1-16-10(3-2-4-10)5-13-9-7(11)8(12)14-6-15-9/h6H,2-5H2,1H3,(H3,12,13,14,15)
InChIKeyIJPMPFZUPXDEHQ-UHFFFAOYSA-N
MW242.71 g/mol
LogP1.69
Rot. Bonds4

About 5-chloro-4-N-[(1-methoxycyclobutyl)methyl]pyrimidine-4,6-diamine

5-chloro-4-N-[(1-methoxycyclobutyl)methyl]pyrimidine-4,6-diamine (PubChem CID 106812371) has the molecular formula C10H15ClN4O and a molecular weight of 242.71 g/mol. Its IUPAC name is 5-chloro-4-N-[(1-methoxycyclobutyl)methyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-chloro-4-N-[(1-methoxycyclobutyl)methyl]pyrimidine-4,6-diamine
PubChem CID106812371
Molecular FormulaC10H15ClN4O
Molecular Weight242.71 g/mol
Exact Mass242.09
IUPAC Name5-chloro-4-N-[(1-methoxycyclobutyl)methyl]pyrimidine-4,6-diamine
SMILESCOC1(CNc2ncnc(N)c2Cl)CCC1
InChIInChI=1S/C10H15ClN4O/c1-16-10(3-2-4-10)5-13-9-7(11)8(12)14-6-15-9/h6H,2-5H2,1H3,(H3,12,13,14,15)
InChIKeyIJPMPFZUPXDEHQ-UHFFFAOYSA-N
XLogP1.69
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-4-N-[(1-methylcyclopropyl)methyl]pyrimidine-4,6-diamine
CID 106812191
5-chloro-4-N-[(1-ethylcyclopentyl)methyl]pyrimidine-4,6-diamine
CID 106812270
5-chloro-4-N-[(1-methylsulfanylcyclopentyl)methyl]pyrimidine-4,6-diamine
CID 114117730
5-chloro-4-N-(2,2-dimethylpropyl)pyrimidine-4,6-diamine
CID 106811895
6-chloro-4-N-[(3-methoxyoxolan-3-yl)methyl]pyrimidine-4,5-diamine
CID 104759022
3-[[(6-amino-5-chloropyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol
CID 114143769
5-chloro-4-N-[2-(dimethylamino)ethyl]pyrimidine-4,6-diamine
CID 106811696
2-chloro-N-[(1-methoxycyclobutyl)methyl]pyrimidin-4-amine
CID 103989622
N-[(1-methoxycyclobutyl)methyl]thieno[3,2-c]pyridin-4-amine
CID 103989642
5-chloro-4-N-[[(2S)-5,5-dimethyloxolan-2-yl]methyl]pyrimidine-4,6-diamine
CID 129320709
(2R)-1-[(6-amino-5-chloropyrimidin-4-yl)amino]propan-2-ol
CID 130619296
5-chloro-4-N-[2-[2-(dimethylamino)ethoxy]ethyl]pyrimidine-4,6-diamine
CID 114129038

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-N-[(1-methoxycyclobutyl)methyl]pyrimidine-4,6-diamine?
The IUPAC name of 5-chloro-4-N-[(1-methoxycyclobutyl)methyl]pyrimidine-4,6-diamine (CID 106812371) is 5-chloro-4-N-[(1-methoxycyclobutyl)methyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 5-chloro-4-N-[(1-methoxycyclobutyl)methyl]pyrimidine-4,6-diamine?
The canonical SMILES for 5-chloro-4-N-[(1-methoxycyclobutyl)methyl]pyrimidine-4,6-diamine is COC1(CNc2ncnc(N)c2Cl)CCC1.
What is the InChIKey of 5-chloro-4-N-[(1-methoxycyclobutyl)methyl]pyrimidine-4,6-diamine?
The InChIKey is IJPMPFZUPXDEHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4O/c1-16-10(3-2-4-10)5-13-9-7(11)8(12)14-6-15-9/h6H,2-5H2,1H3,(H3,12,13,14,15).
What are the key properties of 5-chloro-4-N-[(1-methoxycyclobutyl)methyl]pyrimidine-4,6-diamine?
5-chloro-4-N-[(1-methoxycyclobutyl)methyl]pyrimidine-4,6-diamine has a molecular weight of 242.71 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-N-[(1-methoxycyclobutyl)methyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 106812371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).