methyl 1-(4-aminopyrimidin-2-yl)pyrrolidine-3-carboxylate

C10H14N4O2 — CID 116797068

IUPACmethyl 1-(4-aminopyrimidin-2-yl)pyrrolidine-3-carboxylate
SMILESCOC(=O)C1CCN(c2nccc(N)n2)C1
InChIInChI=1S/C10H14N4O2/c1-16-9(15)7-3-5-14(6-7)10-12-4-2-8(11)13-10/h2,4,7H,3,5-6H2,1H3,(H2,11,12,13)
InChIKeyQYYAZWSDJYUNDI-UHFFFAOYSA-N
MW222.25 g/mol
LogP0.06
Rot. Bonds2

About methyl 1-(4-aminopyrimidin-2-yl)pyrrolidine-3-carboxylate

methyl 1-(4-aminopyrimidin-2-yl)pyrrolidine-3-carboxylate (PubChem CID 116797068) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is methyl 1-(4-aminopyrimidin-2-yl)pyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(4-aminopyrimidin-2-yl)pyrrolidine-3-carboxylate
PubChem CID116797068
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC Namemethyl 1-(4-aminopyrimidin-2-yl)pyrrolidine-3-carboxylate
SMILESCOC(=O)C1CCN(c2nccc(N)n2)C1
InChIInChI=1S/C10H14N4O2/c1-16-9(15)7-3-5-14(6-7)10-12-4-2-8(11)13-10/h2,4,7H,3,5-6H2,1H3,(H2,11,12,13)
InChIKeyQYYAZWSDJYUNDI-UHFFFAOYSA-N
XLogP0.06
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-3-carboxylate
CID 112731125
(3S,4R)-1-(4-aminopyrimidin-2-yl)-4-methoxypiperidin-3-ol
CID 156538124
2-[(3S)-3-aminopyrrolidin-1-yl]pyrimidin-4-amine
CID 90103653
1-(4-aminopyrimidin-2-yl)-4-(2-methoxyethoxy)piperidin-3-ol
CID 156538204
(3S,4R)-1-(4-aminopyrimidin-2-yl)-4-fluoropiperidin-3-ol
CID 156550348
(3R,4S)-1-(4-aminopyrimidin-2-yl)-4-fluoropiperidin-3-ol
CID 165390561
methyl (3R)-1-(2-fluoro-4-pyridinyl)pyrrolidine-3-carboxylate
CID 129497903
2-[1-(4-aminopyrimidin-2-yl)-4-methoxypiperidin-3-yl]oxyethanol
CID 175554485
methanol;2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 156802158
2-(3-methoxyazetidin-1-yl)pyrimidin-4-amine
CID 126980763
1-(4-aminopyrimidin-2-yl)-4-methoxypiperidine-3-carbonitrile
CID 156538123
tert-butyl 3-[1-(4-aminopyrimidin-2-yl)piperidin-4-yl]-3-hydroxycyclobutane-1-carboxylate
CID 166395241

Frequently Asked Questions

What is the IUPAC name of methyl 1-(4-aminopyrimidin-2-yl)pyrrolidine-3-carboxylate?
The IUPAC name of methyl 1-(4-aminopyrimidin-2-yl)pyrrolidine-3-carboxylate (CID 116797068) is methyl 1-(4-aminopyrimidin-2-yl)pyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 1-(4-aminopyrimidin-2-yl)pyrrolidine-3-carboxylate?
The canonical SMILES for methyl 1-(4-aminopyrimidin-2-yl)pyrrolidine-3-carboxylate is COC(=O)C1CCN(c2nccc(N)n2)C1.
What is the InChIKey of methyl 1-(4-aminopyrimidin-2-yl)pyrrolidine-3-carboxylate?
The InChIKey is QYYAZWSDJYUNDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2/c1-16-9(15)7-3-5-14(6-7)10-12-4-2-8(11)13-10/h2,4,7H,3,5-6H2,1H3,(H2,11,12,13).
What are the key properties of methyl 1-(4-aminopyrimidin-2-yl)pyrrolidine-3-carboxylate?
methyl 1-(4-aminopyrimidin-2-yl)pyrrolidine-3-carboxylate has a molecular weight of 222.25 g/mol, XLogP of 0.06, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(4-aminopyrimidin-2-yl)pyrrolidine-3-carboxylate is sourced from PubChem (CID 116797068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).