N-[[1-(aminomethyl)cyclopropyl]methyl]-4-methoxypyrimidin-2-amine

C10H16N4O — CID 115457088

IUPACN-[[1-(aminomethyl)cyclopropyl]methyl]-4-methoxypyrimidin-2-amine
SMILESCOc1ccnc(NCC2(CN)CC2)n1
InChIInChI=1S/C10H16N4O/c1-15-8-2-5-12-9(14-8)13-7-10(6-11)3-4-10/h2,5H,3-4,6-7,11H2,1H3,(H,12,13,14)
InChIKeyDMJDEQGOUDZADM-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.64
Rot. Bonds5

About N-[[1-(aminomethyl)cyclopropyl]methyl]-4-methoxypyrimidin-2-amine

N-[[1-(aminomethyl)cyclopropyl]methyl]-4-methoxypyrimidin-2-amine (PubChem CID 115457088) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclopropyl]methyl]-4-methoxypyrimidin-2-amine.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclopropyl]methyl]-4-methoxypyrimidin-2-amine
PubChem CID115457088
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC NameN-[[1-(aminomethyl)cyclopropyl]methyl]-4-methoxypyrimidin-2-amine
SMILESCOc1ccnc(NCC2(CN)CC2)n1
InChIInChI=1S/C10H16N4O/c1-15-8-2-5-12-9(14-8)13-7-10(6-11)3-4-10/h2,5H,3-4,6-7,11H2,1H3,(H,12,13,14)
InChIKeyDMJDEQGOUDZADM-UHFFFAOYSA-N
XLogP0.64
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-ethylcyclopentyl)methyl]-4-methoxypyrimidin-2-amine
CID 114125798
N-[[1-(aminomethyl)cyclohexyl]methyl]-4-propoxypyrimidin-2-amine
CID 103970456
N-ethyl-4-methoxypyrimidin-2-amine
CID 20510275
N-[[1-(aminomethyl)cyclopentyl]methyl]-6-methoxypyridin-2-amine
CID 115366027
4-methoxy-N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]pyrimidin-2-amine
CID 133491901
N-(cyclopentylmethyl)-4-methoxypyrimidin-2-amine
CID 112684482
N-(4-methoxypyrimidin-2-yl)-2-methylbutane-1,4-diamine
CID 66089762
2-[[1-(2-methoxyethyl)cyclopropyl]methylamino]pyrimidine-4-carbothioamide
CID 114112951
4-methoxy-N-(2-methoxy-2-methylpropyl)pyrimidin-2-amine
CID 115658463
N-(2,2-difluoropropyl)-4-methoxypyrimidin-2-amine
CID 131107592
N-(2-ethoxy-2-methylpropyl)-4-methoxypyrimidin-2-amine
CID 114942889
N-(4-methoxypyrimidin-2-yl)-N'-propan-2-ylethane-1,2-diamine
CID 62664484

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]-4-methoxypyrimidin-2-amine?
The IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]-4-methoxypyrimidin-2-amine (CID 115457088) is N-[[1-(aminomethyl)cyclopropyl]methyl]-4-methoxypyrimidin-2-amine.
What is the SMILES notation for N-[[1-(aminomethyl)cyclopropyl]methyl]-4-methoxypyrimidin-2-amine?
The canonical SMILES for N-[[1-(aminomethyl)cyclopropyl]methyl]-4-methoxypyrimidin-2-amine is COc1ccnc(NCC2(CN)CC2)n1.
What is the InChIKey of N-[[1-(aminomethyl)cyclopropyl]methyl]-4-methoxypyrimidin-2-amine?
The InChIKey is DMJDEQGOUDZADM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-15-8-2-5-12-9(14-8)13-7-10(6-11)3-4-10/h2,5H,3-4,6-7,11H2,1H3,(H,12,13,14).
What are the key properties of N-[[1-(aminomethyl)cyclopropyl]methyl]-4-methoxypyrimidin-2-amine?
N-[[1-(aminomethyl)cyclopropyl]methyl]-4-methoxypyrimidin-2-amine has a molecular weight of 208.26 g/mol, XLogP of 0.64, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclopropyl]methyl]-4-methoxypyrimidin-2-amine is sourced from PubChem (CID 115457088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).