2-chloro-N-[(1-methoxycyclobutyl)methyl]pyrimidin-4-amine

C10H14ClN3O — CID 103989622

IUPAC2-chloro-N-[(1-methoxycyclobutyl)methyl]pyrimidin-4-amine
SMILESCOC1(CNc2ccnc(Cl)n2)CCC1
InChIInChI=1S/C10H14ClN3O/c1-15-10(4-2-5-10)7-13-8-3-6-12-9(11)14-8/h3,6H,2,4-5,7H2,1H3,(H,12,13,14)
InChIKeyLBWBSRUSUQPXDH-UHFFFAOYSA-N
MW227.69 g/mol
LogP2.11
Rot. Bonds4

About 2-chloro-N-[(1-methoxycyclobutyl)methyl]pyrimidin-4-amine

2-chloro-N-[(1-methoxycyclobutyl)methyl]pyrimidin-4-amine (PubChem CID 103989622) has the molecular formula C10H14ClN3O and a molecular weight of 227.69 g/mol. Its IUPAC name is 2-chloro-N-[(1-methoxycyclobutyl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-[(1-methoxycyclobutyl)methyl]pyrimidin-4-amine
PubChem CID103989622
Molecular FormulaC10H14ClN3O
Molecular Weight227.69 g/mol
Exact Mass227.08
IUPAC Name2-chloro-N-[(1-methoxycyclobutyl)methyl]pyrimidin-4-amine
SMILESCOC1(CNc2ccnc(Cl)n2)CCC1
InChIInChI=1S/C10H14ClN3O/c1-15-10(4-2-5-10)7-13-8-3-6-12-9(11)14-8/h3,6H,2,4-5,7H2,1H3,(H,12,13,14)
InChIKeyLBWBSRUSUQPXDH-UHFFFAOYSA-N
XLogP2.11
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[(1-methylcyclopropyl)methyl]pyrimidin-4-amine
CID 103761593
2-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]pyrimidin-4-amine
CID 80703179
1-[[(2-chloropyrimidin-4-yl)amino]methyl]cycloheptan-1-ol
CID 65122552
6-ethoxy-N-[(1-methoxycyclobutyl)methyl]pyridin-2-amine
CID 114119681
2-cyclopropyl-N-[(4-methoxyoxan-4-yl)methyl]pyrimidin-4-amine
CID 133400059
2-chloro-N-(3-methoxypropyl)pyrimidin-4-amine
CID 62343653
3-[[(2-chloropyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol
CID 107269638
6-chloro-N-[(1-methoxycyclobutyl)methyl]-4-nitropyridin-2-amine
CID 103989755
2-chloro-N-[(2,2-dimethylcyclopropyl)methyl]pyrimidin-4-amine
CID 103761521
5-[(1-methoxycyclobutyl)methylamino]pyrazine-2-carbonitrile
CID 104918166
N-[(1-methoxycyclobutyl)methyl]thieno[3,2-c]pyridin-4-amine
CID 103989642
4,6-dimethoxy-N-[(1-methoxycyclobutyl)methyl]pyrimidin-2-amine
CID 114119677

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1-methoxycyclobutyl)methyl]pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-[(1-methoxycyclobutyl)methyl]pyrimidin-4-amine (CID 103989622) is 2-chloro-N-[(1-methoxycyclobutyl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-[(1-methoxycyclobutyl)methyl]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-[(1-methoxycyclobutyl)methyl]pyrimidin-4-amine is COC1(CNc2ccnc(Cl)n2)CCC1.
What is the InChIKey of 2-chloro-N-[(1-methoxycyclobutyl)methyl]pyrimidin-4-amine?
The InChIKey is LBWBSRUSUQPXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O/c1-15-10(4-2-5-10)7-13-8-3-6-12-9(11)14-8/h3,6H,2,4-5,7H2,1H3,(H,12,13,14).
What are the key properties of 2-chloro-N-[(1-methoxycyclobutyl)methyl]pyrimidin-4-amine?
2-chloro-N-[(1-methoxycyclobutyl)methyl]pyrimidin-4-amine has a molecular weight of 227.69 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(1-methoxycyclobutyl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 103989622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).