5-methoxy-N-(pyrrolidin-3-ylmethyl)pyrimidin-4-amine

C10H16N4O — CID 83834199

IUPAC5-methoxy-N-(pyrrolidin-3-ylmethyl)pyrimidin-4-amine
SMILESCOc1cncnc1NCC1CCNC1
InChIInChI=1S/C10H16N4O/c1-15-9-6-12-7-14-10(9)13-5-8-2-3-11-4-8/h6-8,11H,2-5H2,1H3,(H,12,13,14)
InChIKeyALSLRUBLWMJSOL-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.51
Rot. Bonds4

About 5-methoxy-N-(pyrrolidin-3-ylmethyl)pyrimidin-4-amine

5-methoxy-N-(pyrrolidin-3-ylmethyl)pyrimidin-4-amine (PubChem CID 83834199) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 5-methoxy-N-(pyrrolidin-3-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-methoxy-N-(pyrrolidin-3-ylmethyl)pyrimidin-4-amine
PubChem CID83834199
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name5-methoxy-N-(pyrrolidin-3-ylmethyl)pyrimidin-4-amine
SMILESCOc1cncnc1NCC1CCNC1
InChIInChI=1S/C10H16N4O/c1-15-9-6-12-7-14-10(9)13-5-8-2-3-11-4-8/h6-8,11H,2-5H2,1H3,(H,12,13,14)
InChIKeyALSLRUBLWMJSOL-UHFFFAOYSA-N
XLogP0.51
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(pyrrolidin-3-ylmethyl)-1,2,4-triazin-6-amine
CID 112709455
5-methyl-N-(pyrrolidin-3-ylmethyl)pyrimidin-2-amine
CID 80563182
3-bromo-5-methyl-N-(pyrrolidin-3-ylmethyl)pyridin-2-amine
CID 105367397
N-(2-chloroethyl)-5-methoxypyrimidin-4-amine
CID 130543427
3-methoxy-5-methyl-N-(piperidin-4-ylmethyl)pyrazin-2-amine
CID 22135591
N-(2,2-difluoroethyl)-5-methoxypyrimidin-4-amine
CID 130543368
5-methoxy-N-(piperidin-3-ylmethyl)pyrimidin-2-amine
CID 114600875
3-bromo-4-methyl-N-(pyrrolidin-3-ylmethyl)pyridin-2-amine
CID 106876197
5-methoxy-N-(piperidin-4-ylmethyl)pyrimidin-2-amine;dihydrochloride
CID 162422916
2-[(5-methoxypyrimidin-4-yl)amino]acetamide
CID 130543339
5-bromo-N-(cyclobutylmethyl)pyrimidin-4-amine
CID 66341211
N-(cyclobutylmethyl)-5-iodopyrimidin-4-amine
CID 65418018

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-(pyrrolidin-3-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 5-methoxy-N-(pyrrolidin-3-ylmethyl)pyrimidin-4-amine (CID 83834199) is 5-methoxy-N-(pyrrolidin-3-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 5-methoxy-N-(pyrrolidin-3-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 5-methoxy-N-(pyrrolidin-3-ylmethyl)pyrimidin-4-amine is COc1cncnc1NCC1CCNC1.
What is the InChIKey of 5-methoxy-N-(pyrrolidin-3-ylmethyl)pyrimidin-4-amine?
The InChIKey is ALSLRUBLWMJSOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-15-9-6-12-7-14-10(9)13-5-8-2-3-11-4-8/h6-8,11H,2-5H2,1H3,(H,12,13,14).
What are the key properties of 5-methoxy-N-(pyrrolidin-3-ylmethyl)pyrimidin-4-amine?
5-methoxy-N-(pyrrolidin-3-ylmethyl)pyrimidin-4-amine has a molecular weight of 208.26 g/mol, XLogP of 0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-(pyrrolidin-3-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 83834199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).