2-amino-6-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione

C17H22FN5O3 — CID 46897990

IUPAC2-amino-6-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione
SMILESCOc1c(N2CC[C@@H](CN)C2)c(F)cn2c(=O)n(N)c(=O)c(C3CC3)c12
InChIInChI=1S/C17H22FN5O3/c1-26-15-13(21-5-4-9(6-19)7-21)11(18)8-22-14(15)12(10-2-3-10)16(24)23(20)17(22)25/h8-10H,2-7,19-20H2,1H3/t9-/m0/s1
InChIKeyHAUKBVBIYKKQQH-VIFPVBQESA-N
MW363.39 g/mol
LogP-0.01
Rot. Bonds4

About 2-amino-6-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione

2-amino-6-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione (PubChem CID 46897990) has the molecular formula C17H22FN5O3 and a molecular weight of 363.39 g/mol. Its IUPAC name is 2-amino-6-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione.

Molecular Properties

Compound Name2-amino-6-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione
PubChem CID46897990
Molecular FormulaC17H22FN5O3
Molecular Weight363.39 g/mol
Exact Mass363.17
IUPAC Name2-amino-6-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione
SMILESCOc1c(N2CC[C@@H](CN)C2)c(F)cn2c(=O)n(N)c(=O)c(C3CC3)c12
InChIInChI=1S/C17H22FN5O3/c1-26-15-13(21-5-4-9(6-19)7-21)11(18)8-22-14(15)12(10-2-3-10)16(24)23(20)17(22)25/h8-10H,2-7,19-20H2,1H3/t9-/m0/s1
InChIKeyHAUKBVBIYKKQQH-VIFPVBQESA-N
XLogP-0.01
TPSA107.99 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.39
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione?
The IUPAC name of 2-amino-6-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione (CID 46897990) is 2-amino-6-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione.
What is the SMILES notation for 2-amino-6-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione?
The canonical SMILES for 2-amino-6-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione is COc1c(N2CC[C@@H](CN)C2)c(F)cn2c(=O)n(N)c(=O)c(C3CC3)c12.
What is the InChIKey of 2-amino-6-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione?
The InChIKey is HAUKBVBIYKKQQH-VIFPVBQESA-N. The full InChI is InChI=1S/C17H22FN5O3/c1-26-15-13(21-5-4-9(6-19)7-21)11(18)8-22-14(15)12(10-2-3-10)16(24)23(20)17(22)25/h8-10H,2-7,19-20H2,1H3/t9-/m0/s1.
What are the key properties of 2-amino-6-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione?
2-amino-6-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione has a molecular weight of 363.39 g/mol, XLogP of -0.01, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione is sourced from PubChem (CID 46897990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).