2-amino-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-4-methylpyrimidine-5-carboxamide

C11H16FN5O — CID 86283993

IUPAC2-amino-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-4-methylpyrimidine-5-carboxamide
SMILESCc1nc(N)ncc1C(=O)NC[C@@H]1C[C@H](F)CN1
InChIInChI=1S/C11H16FN5O/c1-6-9(5-16-11(13)17-6)10(18)15-4-8-2-7(12)3-14-8/h5,7-8,14H,2-4H2,1H3,(H,15,18)(H2,13,16,17)/t7-,8-/m0/s1
InChIKeyYLCBBFYYPJMXTP-YUMQZZPRSA-N
MW253.28 g/mol
LogP-0.20
Rot. Bonds3

About 2-amino-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-4-methylpyrimidine-5-carboxamide

2-amino-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-4-methylpyrimidine-5-carboxamide (PubChem CID 86283993) has the molecular formula C11H16FN5O and a molecular weight of 253.28 g/mol. Its IUPAC name is 2-amino-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-4-methylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-amino-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-4-methylpyrimidine-5-carboxamide
PubChem CID86283993
Molecular FormulaC11H16FN5O
Molecular Weight253.28 g/mol
Exact Mass253.13
IUPAC Name2-amino-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-4-methylpyrimidine-5-carboxamide
SMILESCc1nc(N)ncc1C(=O)NC[C@@H]1C[C@H](F)CN1
InChIInChI=1S/C11H16FN5O/c1-6-9(5-16-11(13)17-6)10(18)15-4-8-2-7(12)3-14-8/h5,7-8,14H,2-4H2,1H3,(H,15,18)(H2,13,16,17)/t7-,8-/m0/s1
InChIKeyYLCBBFYYPJMXTP-YUMQZZPRSA-N
XLogP-0.20
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 5-0.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-4-methylpyrimidine-5-carboxamide?
The IUPAC name of 2-amino-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-4-methylpyrimidine-5-carboxamide (CID 86283993) is 2-amino-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-4-methylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-amino-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-4-methylpyrimidine-5-carboxamide?
The canonical SMILES for 2-amino-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-4-methylpyrimidine-5-carboxamide is Cc1nc(N)ncc1C(=O)NC[C@@H]1C[C@H](F)CN1.
What is the InChIKey of 2-amino-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-4-methylpyrimidine-5-carboxamide?
The InChIKey is YLCBBFYYPJMXTP-YUMQZZPRSA-N. The full InChI is InChI=1S/C11H16FN5O/c1-6-9(5-16-11(13)17-6)10(18)15-4-8-2-7(12)3-14-8/h5,7-8,14H,2-4H2,1H3,(H,15,18)(H2,13,16,17)/t7-,8-/m0/s1.
What are the key properties of 2-amino-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-4-methylpyrimidine-5-carboxamide?
2-amino-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-4-methylpyrimidine-5-carboxamide has a molecular weight of 253.28 g/mol, XLogP of -0.20, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-4-methylpyrimidine-5-carboxamide is sourced from PubChem (CID 86283993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).