6-methoxy-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine;hydrochloride

C10H17ClN4O — CID 66569768

IUPAC6-methoxy-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine;hydrochloride
SMILESCOc1cc(NCC2CCCN2)ncn1.Cl
InChIInChI=1S/C10H16N4O.ClH/c1-15-10-5-9(13-7-14-10)12-6-8-3-2-4-11-8;/h5,7-8,11H,2-4,6H2,1H3,(H,12,13,14);1H
InChIKeyQSPXIHAFWXXGTJ-UHFFFAOYSA-N
MW244.73 g/mol
LogP1.07
Rot. Bonds4

About 6-methoxy-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine;hydrochloride

6-methoxy-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine;hydrochloride (PubChem CID 66569768) has the molecular formula C10H17ClN4O and a molecular weight of 244.73 g/mol. Its IUPAC name is 6-methoxy-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine;hydrochloride.

Molecular Properties

Compound Name6-methoxy-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine;hydrochloride
PubChem CID66569768
Molecular FormulaC10H17ClN4O
Molecular Weight244.73 g/mol
Exact Mass244.11
IUPAC Name6-methoxy-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine;hydrochloride
SMILESCOc1cc(NCC2CCCN2)ncn1.Cl
InChIInChI=1S/C10H16N4O.ClH/c1-15-10-5-9(13-7-14-10)12-6-8-3-2-4-11-8;/h5,7-8,11H,2-4,6H2,1H3,(H,12,13,14);1H
InChIKeyQSPXIHAFWXXGTJ-UHFFFAOYSA-N
XLogP1.07
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.73
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,3-dimethylpiperidin-2-yl)methyl]-6-methoxypyrimidin-4-amine
CID 114083960
N-[(4-aminocyclohexyl)methyl]-6-methoxypyrimidin-4-amine
CID 114147282
6-chloro-N-(piperidin-2-ylmethyl)pyrimidin-4-amine
CID 71639840
6-methoxy-N-(pyrrolidin-2-ylmethyl)pyridin-3-amine
CID 106636193
N-[(3-aminocyclohexyl)methyl]-6-methoxypyrimidin-4-amine
CID 106128246
5-methoxy-6-methyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine
CID 83838864
6-ethoxy-N-(piperidin-3-ylmethyl)pyrimidin-4-amine;hydrochloride
CID 66569692
N-[(1-ethylpyrrolidin-2-yl)methyl]-6-methoxypyrimidin-4-amine
CID 66325160
6-ethoxy-N-(piperidin-3-ylmethyl)pyrimidin-4-amine
CID 66319233
6-ethoxy-N-(piperidin-2-ylmethyl)pyridin-2-amine
CID 63591675
N-[(1-cyclopropylcyclopropyl)methyl]-6-methoxypyrimidin-4-amine
CID 104918007
6-methoxy-2-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrimidin-4-amine
CID 104973053

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine;hydrochloride?
The IUPAC name of 6-methoxy-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine;hydrochloride (CID 66569768) is 6-methoxy-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine;hydrochloride.
What is the SMILES notation for 6-methoxy-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine;hydrochloride?
The canonical SMILES for 6-methoxy-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine;hydrochloride is COc1cc(NCC2CCCN2)ncn1.Cl.
What is the InChIKey of 6-methoxy-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine;hydrochloride?
The InChIKey is QSPXIHAFWXXGTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O.ClH/c1-15-10-5-9(13-7-14-10)12-6-8-3-2-4-11-8;/h5,7-8,11H,2-4,6H2,1H3,(H,12,13,14);1H.
What are the key properties of 6-methoxy-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine;hydrochloride?
6-methoxy-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine;hydrochloride has a molecular weight of 244.73 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine;hydrochloride is sourced from PubChem (CID 66569768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).